SCHEMBL29616489

SCHEMBL29616489

Fc1ccc(CBr)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
SLC6A2 P23975 9/20 0.43
SLC6A4 P31645 9/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
DHFR P00374 1/20 0.40
P2RX7 Q99572 6/20 0.39
GPR183 P32249 1/20 0.38

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
SCHEMBL488748 1.00 IDO1 (0.59) IDO1SLC6A2SLC6A4SLC6A3HDAC3
SCHEMBL75416 0.88 IDO1 (0.46) IDO1SLC6A2SLC6A4SLC6A3HDAC3
SCHEMBL28763543 0.84 IDO1 (0.56) IDO1SLC6A2SLC6A4SLC6A3HDAC3
SCHEMBL1538597 0.83 IDO1 (0.63) IDO1SLC6A2SLC6A4SLC6A3HDAC3
SCHEMBL3278241 0.81 IDO1 (0.61) IDO1SLC6A2SLC6A4SLC6A3HDAC3
SCHEMBL14774588 0.81 IDO1 (0.56) IDO1SLC6A2SLC6A4SLC6A3HDAC3
SCHEMBL17864241 0.79 IDO1 (0.59) IDO1SLC6A2SLC6A4SLC6A3HDAC3
SCHEMBL109671 0.79 IDO1 (0.65) IDO1SLC6A2SLC6A4SLC6A3HDAC3
SCHEMBL195156 0.79 KDM1A (0.43) IDO1SLC6A4GPR183
SCHEMBL8417818 0.79 IDO1 (0.59) IDO1SLC6A2SLC6A4SLC6A3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025224512-A1 NOVEL COMPOUND AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE 13 (HSD17B13) INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2025-10-30 WO disclosed
EP-4612131-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2025-09-10 EP disclosed
EP-4561575-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
CN-115594669-B Parallel ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-11-05 CN disclosed
WO-2024175927-A1 MC2R MODULATOR COMPOUNDS Omass Therapeutics Limited (GB) 2024-08-29 WO disclosed
CN-115215823-B FXR modulator, preparation method, pharmaceutical composition and application thereof 北京百思致道管理顾问中心(有限合伙) 2024-07-26 CN disclosed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 US disclosed
WO-2024095003-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2024-05-10 WO disclosed
CN-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司(CN) 2023-01-13 CN disclosed
CN-109963836-B Deuterium atom substituted indole carboxamide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed
CN-115215823-A FXR (FXR) regulator and preparation method, pharmaceutical composition and application thereof 青岛睿吉医疗技术有限公司 2022-10-21 CN disclosed
CN-109485595-B Hydrophilic group substituted indole formamide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-05-27 CN disclosed
CN-114401968-A Novel heterocyclic monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2022-04-26 CN 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 (1 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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 IDO1 1568/4885SLC6A2 4429/4885SLC6A4 4134/4885

“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.