SCHEMBL12425595

SCHEMBL12425595

Cc1c(C(C)C)sc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
ALDH1A1 P00352 5/20 0.41
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALOX5 P09917 2/20 0.40
ROCK1 Q13464 1/20 0.38
HSD11B1 P28845 1/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4093915 0.86 GPR3 (0.44) GPR3ALDH1A1PRNPRXFP1ALOX5
SCHEMBL4099685 0.81 GPR3 (0.40) GPR3ALDH1A1PRNPRXFP1ALOX5
SCHEMBL4099681 0.81 GPR3 (0.40) GPR3ALDH1A1PRNPRXFP1ALOX5
SCHEMBL22320228 0.81 GPR3 (0.40) GPR3ALDH1A1PRNPRXFP1ALOX5
SCHEMBL12896179 0.79 GPR3 (0.46) GPR3ALDH1A1ALOX5MAPTKMT2A
SCHEMBL25604280 0.78 GPR3 (0.44) GPR3ALDH1A1ALOX5MAPTIDO1
SCHEMBL22789121 0.78 GPR3 (0.44) GPR3ALDH1A1ALOX5MAPTKMT2A
SCHEMBL12767846 0.78 ALOX5 (0.56) GPR3ALDH1A1RXFP1ALOX5MAPT
SCHEMBL13197121 0.76 TRPA1 (0.34) ROCK1IDO1CYP1A2
SCHEMBL14350411 0.76 BCL2L1 (0.40) ALDH1A1MAPTGAARAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303581-A1 ORALLY BIOAVAILABLE, BRAIN-PENETRANT COMPOUND WITH SELECTIVITY FOR THE CANNABINOID TYPE 2 RECEPTOR WITH POTENTIAL USE TOWARDS VISCERAL PAIN MANAGEMENT AND NEURODEGENERATIVE DISORDERS UNIV MISSISSIPPI (US) 2023-09-28 US disclosed
US-20230303581-A1 ORALLY BIOAVAILABLE, BRAIN-PENETRANT COMPOUND WITH SELECTIVITY FOR THE CANNABINOID TYPE 2 RECEPTOR WITH POTENTIAL USE TOWARDS VISCERAL PAIN MANAGEMENT AND NEURODEGENERATIVE DISORDERS UNIV MISSISSIPPI (US) 2023-09-28 US disclosed
EP-3675847-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2023-07-12 EP disclosed
US-20230172047-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THEREOF LG DISPLAY CO., LTD. (KR) 2023-06-01 US disclosed
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-20210163471-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS 2021-06-03 US disclosed
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-07 US disclosed
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 US disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
US-RE47415-E1 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-06-04 US disclosed
US-7575386-B2 Color-memorizing photochromic writing instrument, color-memorizing photochromic writing instrument set using the same and method for alternately expressing color-memorizing photochromic function of writing image THE PILOT INK CO., LTD. (JP) 2009-08-18 US disclosed
US-7575386-B2 Color-memorizing photochromic writing instrument, color-memorizing photochromic writing instrument set using the same and method for alternately expressing color-memorizing photochromic function of writing image THE PILOT INK CO., LTD. (JP) 2009-08-18 US disclosed
US-7572784-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-11 US disclosed
US-7560467-B2 Indazolo-tetrahydropyrimidine-carboxamide derivative kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-7560467-B2 Indazolo-tetrahydropyrimidine-carboxamide derivative kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN AEGERA THERAPEUTICS INC. (CA) 2009-07-02 US disclosed
US-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN AEGERA THERAPEUTICS INC. (CA) 2009-07-02 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-21 US disclosed
US-20070099944-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-05-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI GPR3 4277/4885ALDH1A1 2669/4885PRNP 3301/4885
US-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN SCN1B, SCN3A, SCN1A GPR3 380/4885ALDH1A1 658/4885PRNP 2527/4885
US-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A GPR3 1542/4885ALDH1A1 3052/4885PRNP 2206/4885
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors CHUK, BCOR, MYC GPR3 4280/4885ALDH1A1 3413/4885PRNP 2933/4885
US-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression AURKB, AURKC, AURKA GPR3 2423/4885ALDH1A1 3480/4885PRNP 4030/4885
US-20210163471-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME GRN, PRNP, PSEN1 GPR3 3197/4885ALDH1A1 4834/4885PRNP 2/4885
US-20070099944-A1 Chemical compounds ROCK1, ROCK2, CIT GPR3 2133/4885ALDH1A1 1692/4885PRNP 3369/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 GPR3 2851/4885ALDH1A1 3317/4885PRNP 2998/4885
US-20230303581-A1 ORALLY BIOAVAILABLE, BRAIN-PENETRANT COMPOUND WITH SELECTIVITY FOR THE CANNABINOID TYPE 2 RECEPTOR WITH POTENTIAL USE TOWARDS VISCERAL PAIN MANAGEMENT AND NEURODEGENERATIVE DISORDERS CNR2, CNR1, OPRL1 GPR3 47/4885ALDH1A1 3481/4885PRNP 964/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 GPR3 4601/4885ALDH1A1 1655/4885PRNP 3043/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.