SCHEMBL901450

SCHEMBL901450

OCc1ccc(F)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
P2RX7 Q99572 2/20 0.38
IDO1 P14902 3/20 0.36
AGXT P21549 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
PLEC Q15149 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
MAPK14 Q16539 1/20 0.33
KDM4E B2RXH2 3/20 0.33

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
SCHEMBL31573752 1.00 PKM (0.42) PKMP2RX7IDO1AGXTKMT2A
SCHEMBL29814990 0.83 PKM (0.40) PKMP2RX7IDO1AGXTKMT2A
SCHEMBL3712167 0.83 PKM (0.40) PKMP2RX7IDO1AGXTKMT2A
SCHEMBL458270 0.82 PKM (0.38) PKMIDO1AGXTKMT2AMEN1
SCHEMBL30227514 0.82 PKM (0.38) PKMIDO1AGXTKMT2AMEN1
Ammonia Solution, Strong SCHEMBL28943169 0.80 PKM (0.37) PKMIDO1AGXTKMT2AMEN1
SCHEMBL3637969 0.79 CA2 (0.46) PKMP2RX7IDO1AGXTKMT2A
SCHEMBL30817945 0.79 CA2 (0.46) PKMP2RX7IDO1AGXTKMT2A
SCHEMBL596489 0.79 KMT2A (0.37) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL29494112 0.79 PKM (0.39) PKMP2RX7IDO1AGXTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4585588-A1 BENZIMIDAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Pharmavan Co., Ltd. (CN) 2025-07-16 EP disclosed
CN-115066428-B Boric acid derivatives 首药控股(北京)股份有限公司 2025-06-13 CN disclosed
EP-4143182-B1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2024-12-11 EP disclosed
US-20240368109-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME LLC (US) 2024-11-07 US disclosed
US-12122780-B2 Pyrimidinyl group-containing tricyclic compound serving as c-Met inhibitor JIANGSU AOSAIKANG PHARMACEUTICAL CO., LTD. (CN) 2024-10-22 US disclosed
CN-118791498-A Tetracyclic compound, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2024-10-18 CN disclosed
EP-4404935-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS Merck Sharp & Dohme LLC (US) 2024-07-31 EP disclosed
CN-117720472-A Benzimidazole compound, and preparation method and application thereof 苏州沪云新药研发股份有限公司 2024-03-19 CN disclosed
WO-2024051354-A1 BENZIMIDAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州沪云新药研发股份有限公司 2024-03-14 WO disclosed
US-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 US disclosed
EP-1317458-A2 INTERPHENYLENE 7-OXABICYCLIC[2.2.1]HEPTANE OXAZOLES AS PROSTAGLANDIN F2ALPHA ANTAGONISTS Allergan, Inc. (US) 2003-06-11 EP disclosed
US-20030105064-A1 Interheteroaryl 7-oxabicyclic [2.2.1]heptane oxazoles as prostaglandin F2alpha antagonists ALLERGAN INC. 2003-06-05 US disclosed
US-6511999-B2 Treating rheumatoid arthritis and psoriasis, reproductive disorders, bronchoconstrictive disorders (asthma), osteoporosis, peptic ulcers, heart disease, and thrombosis ALLERGAN, INC. 2003-01-28 US disclosed
US-6509364-B2 Antiinflammatory agents for reactions relating to rheumatoid arthritis and psoriasis, reproductive disorders, broncho-constrictive disorders, excessive bone breakdown, peptic ulcers, heart disease, platelet aggregation and thrombosis ALLERGAN, INC. 2003-01-21 US disclosed
US-20020165399-A1 Interphenylene 7-oxabicyclic [2.2.1] heptane oxazoles as prostaglandin F2a antagonists ALLERGAN SALES, INC. 2002-11-07 US disclosed
US-20020128233-A1 Interheteroaryl 7-oxabicyclic [2.2.1]heptane oxazoles as prostaglandin F2alpha antagonists ALLERGAN, INC. 2002-09-12 US disclosed
US-6407250-B1 ANTIINFLAMMATORY AGENTS; SKIN DISORDERS; OSTEOPOROSIS ALLERGAN SALES, INC. 2002-06-18 US disclosed
US-6369089-B1 INFLAMMATORY REACTIONS RELATING TO RHEUMATOID ARTHRITIS AND PSORIASIS, REPRODUCTIVE DISORDERS, BRONCHOCONSTRICTIVE DISORDERS (ASTHMA), EXCESSIVE BONE BREAKDOWN (OSTEOPOROSIS), PEPTIC ULCERS, HEART DISEASE, PLATELET AGGREGATION AND ALLERGAN SALES, INC. 2002-04-09 US disclosed
WO-2002022621-A2 INTERPHENYLENE 7-OXABICYCLIC[2.2.1]HEPTANE OXAZOLES AS PROSTAGLANDIN F2a ANTAGONISTS ALLERGAN INC. (US) 2002-03-21 WO disclosed
WO-2002022620-A2 INTERHETEROARYL 7-OXABICYCLIC [2.2.1]HEPTANE OXAZOLES AS PROSTAGLANDIN F2$G(A) ANTAGONISTS ALLERGAN, INC. (US) 2002-03-21 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-20020165399-A1 Interphenylene 7-oxabicyclic [2.2.1] heptane oxazoles as prostaglandin F2a antagonists PTGIR, PTGER1, TBXA2R PKM 1995/4885P2RX7 214/4885IDO1 1445/4885
US-20030105064-A1 Interheteroaryl 7-oxabicyclic [2.2.1]heptane oxazoles as prostaglandin F2alpha antagonists PTGER1, PTGIR, PTGDR PKM 2632/4885P2RX7 451/4885IDO1 1196/4885
US-12122780-B2 Pyrimidinyl group-containing tricyclic compound serving as c-Met inhibitor MET, MYC, METAP1 PKM 887/4885P2RX7 3072/4885IDO1 3408/4885
US-20240368109-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 PKM 3803/4885P2RX7 123/4885IDO1 516/4885
US-20020128233-A1 Interheteroaryl 7-oxabicyclic [2.2.1]heptane oxazoles as prostaglandin F2alpha antagonists PTGER1, PTGIR, PTGDR PKM 2179/4885P2RX7 377/4885IDO1 1238/4885
US-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 PKM 2303/4885P2RX7 4487/4885IDO1 2622/4885

“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.