Sugi Predict

Sugi Predict / Compounds / SCHEMBL1228700

SCHEMBL1228700

SCHEMBL1228700

Cc1ccc(C(F)(F)F)cc1CBr

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.43
▸ HTR2A P28223 2/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ PDE2A O00408 4/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ KIF11 P52732 2/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ TAS2R14 Q9NYV8 1/20 0.36
▸ PTPN5 P54829 1/20 0.34

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
SCHEMBL18294991 0.86 DAO (0.46) IDO1HTR2ASLC6A4KCNH2DAO
SCHEMBL10268650 0.82 KIF11 (0.46) IDO1HTR2ASLC6A4KCNH2DAO
SCHEMBL13052416 0.82 IDO1 (0.41) IDO1HTR2ASLC6A4KCNH2DAO
SCHEMBL1018316 0.81 IDO1 (0.43) IDO1HTR2ASLC6A4KCNH2DAO
SCHEMBL30149710 0.81 IDO1 (0.43) IDO1HTR2ASLC6A4KCNH2DAO
SCHEMBL20651130 0.81 HTR2A (0.42) IDO1HTR2ASLC6A4KCNH2DAO
SCHEMBL13846823 0.80 IDO1 (0.40) IDO1HTR2ASLC6A4KCNH2DAO
SCHEMBL15062087 0.80 S1PR1 (0.51) IDO1HTR2ASLC6A4KCNH2DAO
SCHEMBL14496455 0.80 IDO1 (0.40) IDO1HTR2ASLC6A4KCNH2DAO
SCHEMBL2111621 0.80 IDO1 (0.40) IDO1HTR2ASLC6A4KCNH2DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4304588-A1 COMPOUNDS HAVING TETRAHYDROINDOLIZINE-1-CARBOXAMIDE AS BCL-2 INHIBITORS Eil Therapeutics, Inc. (US) 2024-01-17 — — EP disclosed
CN-116981458-A Compounds with tetrahydroindole-1-carboxamides as BCL-2 inhibitors 伊尔治疗学股份有限公司 2023-10-31 — — CN disclosed
US-11697650-B2 Compounds having tetrahydroindolizine-1-carboxamide as BCL-2 inhibitors Eil Therapeutics, Inc. (US) 2023-07-11 — — US disclosed
US-20220289745-A1 COMPOUNDS HAVING TETRAHYDROINDOLIZINE-1-CARBOXAMIDE AS BCL-2 INHIBITORS EIL TERAPEUTICS, INC. 2022-09-15 — — US disclosed
EP-4034538-A1 NEW HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-08-03 — — EP disclosed
CN-114401968-A Novel heterocyclic monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2022-04-26 — — CN disclosed
CN-108368107-B Fused heterocyclic compounds as S1P modulators 艾伯维公司 2021-11-26 — — CN disclosed
WO-2021058445-A1 NEW HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2021-04-01 — — WO disclosed
US-20210094973-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 — — US disclosed
US-10660898-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2020-05-26 — — US disclosed
US-7671080-B2 1-benzylindole-2-carboxamide derivatives N.V. ORGANON (NL) 2010-03-02 — — US disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 — — US disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 — — WO disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 — — US disclosed
US-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives N.V. ORGANON (NL) 2008-11-13 — — US disclosed
EP-1954133-A2 PYRROLIDINEANILINES SMITHKLINE BEECHAM CORPORATION (US) 2008-08-13 — — EP disclosed
EP-1940788-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2008-07-09 — — EP disclosed
WO-2006100208-A9 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES ORGANON NV (NL) 2007-11-22 — — WO disclosed
WO-2007065093-A2 PYRROLIDINEANILINES SMITHKLINE BEECHAM CORPORATION (US) 2007-06-07 — — WO disclosed
WO-2006100208-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2006-09-28 — — 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 (6 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-20210094973-A1 HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP1A1, CYP1B1 IDO1 952/4885HTR2A 1992/4885SLC6A4 3942/4885
US-20220289745-A1 COMPOUNDS HAVING TETRAHYDROINDOLIZINE-1-CARBOXAMIDE AS BCL-2 INHIBITORS BCL2, BCL2L1, BCL2A1 IDO1 308/4885HTR2A 534/4885SLC6A4 4027/4885
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 IDO1 1459/4885HTR2A 3651/4885SLC6A4 3738/4885
US-10660898-B2 Benzimidazole derivatives as PI3 kinase inhibitors PI4KB, PIK3CD, PI4KA IDO1 1785/4885HTR2A 2825/4885SLC6A4 3166/4885
US-11697650-B2 Compounds having tetrahydroindolizine-1-carboxamide as BCL-2 inhibitors BCL2, BCL2L1, BCL2A1 IDO1 308/4885HTR2A 534/4885SLC6A4 4027/4885
US-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives CNR2, CNR1, HTR2C IDO1 42/4885HTR2A 31/4885SLC6A4 95/4885

“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.