SCHEMBL441069

SCHEMBL441069

COC(=N)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
F2 P00734 2/20 0.46
F10 P00742 1/20 0.46
F12 P00748 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
PKM P14618 1/20 0.46
BLM P54132 1/20 0.44
KMT2A Q03164 4/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
C1S P09871 1/20 0.42
RECQL P46063 1/20 0.42
SRC P12931 1/20 0.42
CES1 P23141 4/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CES2 O00748 2/20 0.40
POLB P06746 1/20 0.40

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
Hydrochloric Acid SCHEMBL647895 0.97 TSHR (0.50) TSHRF2F10F12F7
Hydrochloric Acid SCHEMBL1821949 0.95 TSHR (0.48) TSHRF2F10F12F7
SCHEMBL11308665 0.85 TSHR (0.45) TSHRF2F10F12F7
Hydrochloric Acid SCHEMBL10515151 0.84 WDR5 (0.52) MAPTALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL14269665 0.81 PRSS1 (0.58) KMT2APRSS1PRSS2PRSS3MAPT
SCHEMBL8259804 0.80 TSHR (0.43) TSHRF2F10F12F7
SCHEMBL6871653 0.78 CA1 (0.56) TSHRF2KMT2APRSS1PRSS2
SCHEMBL9030594 0.78 F2 (0.50) TSHRF2F10F12F7
SCHEMBL13232308 0.77 TDP1 (0.54) PKMKMT2ACES1MAPTALDH1A1
SCHEMBL111257 0.77 CA12 (0.54) TSHRF12PKMBLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4232151-A ANTIBIOTICS SHIONOGI & CO., LTD. (JP) 1980-11-04 US claimed
US-20230357295-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-09 US disclosed
US-11691992-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-11691992-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-20230136933-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-04 US disclosed
CN-112236433-B Novel compounds 国家医疗保健研究所 2023-04-04 CN disclosed
CN-112165861-B Leaf spot control agent and plant growth regulator for Musaceae plant 三井化学AGRO株式会社 2023-02-17 CN disclosed
US-20220218641-A1 METHODS OF TREATMENT WITH DEUTERATED ANALOGS OF D-SERINE SUN PHARMACEUTICAL INDUSTRIES, INC. 2022-07-14 US disclosed
US-20210253605-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF ANACOR PHARMACEUTICALS INC (US) 2021-08-19 US disclosed
US-11026936-B2 Piperidinyl-propanone derivatives MERCK PATENT GMBH (DE) 2021-06-08 US disclosed
US-20030216383-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-11-20 US disclosed
EP-1322613-A1 SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2003-07-02 EP disclosed
EP-1218372-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2003-07-02 EP disclosed
US-6525052-B2 Treating autoimmune diseases, Alzheimer's disease, atherosclerosis, osteoporosis, and asthma BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-02-25 US disclosed
US-20020137932-A1 Novel compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-09-26 US disclosed
US-6420364-B1 TREATING AUTOIMMUNE DISEASES,ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-16 US disclosed
EP-1218372-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-07-03 EP disclosed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 US disclosed
WO-2002020485-A1 SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-03-14 WO disclosed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 WO 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 (9 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-20230136933-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE CYBA, C1S, OCIAD1 TSHR 3188/4885F2 108/4885F10 44/4885
US-11026936-B2 Piperidinyl-propanone derivatives PDK2, PDK3, PDK1 TSHR 3297/4885F2 726/4885F10 1412/4885
US-11691992-B2 Oxaborole analogs and uses thereof OXA1L, EPX, OAT TSHR 4015/4885F2 3320/4885F10 4497/4885
US-20210253605-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF OXA1L, AOX1, EPX TSHR 4314/4885F2 4255/4885F10 4693/4885
US-20230357295-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE L1CAM, CHRM1, FOXM1 TSHR 2418/4885F2 108/4885F10 649/4885
US-20030216383-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB TSHR 2664/4885F2 284/4885F10 303/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB TSHR 3179/4885F2 706/4885F10 1069/4885
US-20220218641-A1 METHODS OF TREATMENT WITH DEUTERATED ANALOGS OF D-SERINE PSPH, SRR, AASDHPPT TSHR 3591/4885F2 952/4885F10 3143/4885
US-20020137932-A1 Novel compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB TSHR 2516/4885F2 369/4885F10 319/4885

“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.