SCHEMBL9701046

SCHEMBL9701046

O=C1Nc2ccccc2CS1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.50
PDK2 Q15119 1/20 0.50
NPC1 O15118 9/20 0.48
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 3/20 0.46
ACHE P22303 1/20 0.45
BRD4 O60885 2/20 0.44
CREBBP Q92793 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NFKB1 P19838 2/20 0.43

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
SCHEMBL29961030 1.00 AHR (0.50) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL10061744 0.75 NPC1 (0.46) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL11710281 0.75 NPC1 (0.50) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL4811332 0.75 ALDH1A1 (0.60) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL1762488 0.73 AHR (0.59) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL9373684 0.73 CA9 (0.54) AHRLMNAL3MBTL1ATMMAPT
SCHEMBL6606073 0.70 PDE3B (0.56) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL20596892 0.69 L3MBTL1 (0.38) SMN1; SMN2LMNAL3MBTL1ATMMAPT
SCHEMBL27076402 0.69 HTR5A (0.44) AHRL3MBTL1ATMMAPTACHE
SCHEMBL21312022 0.68 NPC1 (0.41) AHRPDK2NPC1MAPK13MAPK12

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510235-A1 Novel benzoxazine or benzothiazine derivatives and process for the preparation of the same DONG-A PHARM. CO., LTD. (KR) 1992-10-28 EP claimed
JP-63170385-A None JP disclosed
US-20240208953-A1 \"Cyclopenta[c]pyrrol Negative Allosteric Modulators of NR2B\ NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-06-27 US disclosed
EP-4313041-A1 NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B Novartis AG (CH) 2024-02-07 EP disclosed
CN-117157072-A Novel cyclopento [ c ] pyrrole NR2B negative allosteric modulators 诺华股份有限公司 2023-12-01 CN disclosed
WO-2022204336-A1 NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS AG (CH) 2022-09-29 WO disclosed
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2010-04-29 US disclosed
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2010-04-29 US disclosed
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2008-12-11 US disclosed
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2008-12-11 US disclosed
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US disclosed
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US disclosed
US-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 US disclosed
US-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 US disclosed
US-7351825-B2 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2008-04-01 US disclosed
US-7351825-B2 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2008-04-01 US disclosed
JP-S63170385-A BENZOTHIAZINE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL GERMICIDE KUMIAI CHEM IND CO LTD 1988-07-14 JP 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 (5 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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof MMP13, MMP11, MMP3 AHR 288/4885PDK2 3082/4885NPC1 1780/4885
US-20240208953-A1 \"Cyclopenta[c]pyrrol Negative Allosteric Modulators of NR2B\ GRIN2C, GRIN2B, GRIN2A AHR 2327/4885PDK2 2851/4885NPC1 2885/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 AHR 528/4885PDK2 2671/4885NPC1 2112/4885
US-20100105894-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 AHR 528/4885PDK2 2671/4885NPC1 2112/4885
US-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 AHR 566/4885PDK2 2706/4885NPC1 2118/4885

“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.