SCHEMBL4813243

SCHEMBL4813243

COC(=O)c1c(Br)cnn1C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTT P42858 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.47
CNR2 P34972 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 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
SCHEMBL1357879 0.82 HTT (0.50) CYP1A2CYP2C19HTTSMN1; SMN2LMNA
SCHEMBL16177307 0.81 SMN1; SMN2 (0.51) CYP1A2CYP2C19HTTSMN1; SMN2LMNA
SCHEMBL21807935 0.81 CYP1A2 (0.46) CYP1A2CYP2C19HTTSMN1; SMN2LMNA
SCHEMBL38658679 0.80 CYP1A2 (0.45) CYP1A2CYP2C19HTTSMN1; SMN2LMNA
SCHEMBL2215634 0.79 CNR2 (0.47) CYP1A2CYP2C19HTTGAACNR2
SCHEMBL31719625 0.79 CNR2 (0.47) CYP1A2CYP2C19HTTLMNAPOLB
SCHEMBL28965242 0.79 CYP1A2 (0.50) CYP1A2CYP2C19HTTGAACNR2
SCHEMBL24553896 0.79 HTT (0.50) CYP1A2CYP2C19HTTSMN1; SMN2LMNA
SCHEMBL24485098 0.78 ALDH1A1 (0.56) CYP1A2HTTSMN1; SMN2LMNAGAA
SCHEMBL1876572 0.78 CNR2 (0.46) CYP1A2CYP2C19HTTGAACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939829-B Synthetic method of aryl trifluoromethyl thioether 武汉药明康德新药开发有限公司 2023-02-21 CN claimed
CN-112939829-A Synthetic method of aryl trifluoromethyl thioether 武汉药明康德新药开发有限公司 2021-06-11 CN claimed
US-12454530-B2 Amido cyclohexane acid derivatives as LPA receptor inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2025-10-28 US disclosed
US-20250163022-A1 PARP1 INHIBITORS SYNNOVATION THERAPEUTICS, INC. 2025-05-22 US disclosed
EP-4554680-A1 INHIBITORS OF HPK1 AND METHODS OF USE THEREOF Arcus Biosciences, Inc. (US) 2025-05-21 EP disclosed
WO-2025096751-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ESPERION THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
US-12258354-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2025-03-25 US disclosed
US-20250066341-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-02-27 US disclosed
WO-2025026266-A1 COMPOUND AS LPAR1 ANTAGONIST, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉朗来科技发展有限公司 2025-02-06 WO disclosed
EP-4452963-A1 PARP1 INHIBITORS Synnovation Therapeutics, Inc. (US) 2024-10-30 EP disclosed
EP-4452965-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-10-30 EP disclosed
US-8980888-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-8980889-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-20150005232-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2015-01-01 US disclosed
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 US disclosed
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 US disclosed
WO-2013189862-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS LPAR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-12-27 WO disclosed
WO-2013130855-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-09-06 WO disclosed
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 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 (8 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-12454530-B2 Amido cyclohexane acid derivatives as LPA receptor inhibitors LPAR1, LPAR2, LPAR3 CYP1A2 1880/4885CYP2C19 3916/4885HTT 4372/4885
US-20150005232-A1 INDAZOLE DERIVATIVES GPR119, INSR, INSRR CYP1A2 6/4885CYP2C19 12/4885HTT 1121/4885
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 CYP1A2 910/4885CYP2C19 790/4885HTT 4703/4885
US-12258354-B2 AhR modulators AHR, ARNT, RORB CYP1A2 39/4885CYP2C19 347/4885HTT 387/4885
US-20250163022-A1 PARP1 INHIBITORS PARP1, PARP11, PARP12 CYP1A2 4164/4885CYP2C19 3920/4885HTT 1131/4885
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CYP1A2 322/4885CYP2C19 134/4885HTT 1143/4885
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CYP1A2 322/4885CYP2C19 134/4885HTT 1143/4885
US-20250066341-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS LPAR1, LPAR2, LPAR3 CYP1A2 1448/4885CYP2C19 3844/4885HTT 4198/4885

“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.