SCHEMBL613761

SCHEMBL613761

O=Cc1cc(F)cc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
ERN1 O75460 3/20 0.34
CYP17A1 P05093 1/20 0.33
CYP21A2 P08686 1/20 0.33
CYP11B1 P15538 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL30374708 1.00 ALDH1A1 (0.46) ALDH1A1ERN1CYP17A1CYP21A2CYP11B1
Acetonitrile SCHEMBL27797406 0.88 ALDH1A1 (0.38) ALDH1A1
SCHEMBL16680422 0.84 ALDH1A1 (0.35) ALDH1A1CYP17A1CYP21A2CYP11B1CHRNB4
SCHEMBL96269 0.82 ERN1 (0.41) ALDH1A1ERN1NFE2L2
SCHEMBL708554 0.82 ALDH1A1 (0.56) ALDH1A1ERN1
SCHEMBL646947 0.82 ALDH1A1 (0.56) ALDH1A1ERN1
SCHEMBL6854243 0.82 ERN1 (0.41) ALDH1A1ERN1NFE2L2
SCHEMBL16684637 0.81 ALDH1A1 (0.32) ALDH1A1
Ammonia Solution, Strong SCHEMBL13735346 0.79 ERN1 (0.39) ALDH1A1ERN1NFE2L2
SCHEMBL4295010 0.79 TRPV1 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164835-A2 PROCESS FOR PREPARING TRIAZOLONES F. Hoffmann-Roche AG (CH) 2010-03-24 EP claimed
CN-101679320-A Process for preparing triazolones HOFFMANN LA ROCHE 2010-03-24 CN claimed
US-20090012304-A1 preparation of intermediates 3-[3-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)phenoxy]-5-difluoromethyl-benzonitrile derivatives; for making enzyme inhibitors of HIV-1 reverse transcriptase, treating AIDS and HIV-1 syndromes ROCHE PALO ALTO LLC 2009-01-08 US claimed
WO-2008145563-A2 PROCESS FOR PREPARING TRIAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 WO claimed
WO-2026103738-A1 BRIDGED CYCLIC 5-AMINO-6, 8-DIHYDRO-1H-FURO [3, 4-D] PYRROLO [3, 2-B] PYRIDINE-2-CARBOXAMIDE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEONE PHARMACEUTICAL (SUZHOU) CO., LTD. (CN) 2026-05-21 WO disclosed
US-20260132149-A1 Bridged Cyclic 5-Amino-6,8-Dihydro-1H-Furo[3,4-D]Pyrrolo[3,2-B]Pyridine-2-Carboxamide Compounds, Compositions Thereof, and Methods of Treatment Therewith BEONE MEDICINES I GMBH (CH) 2026-05-14 US disclosed
WO-2026090589-A1 HETEROCYCLIC HBS1L DEGRADERS TANGO THERAPEUTICS, INC. (US) 2026-04-30 WO disclosed
US-20260116878-A1 INDAZOLE INHIBITORS OF THE WNT SIGNAL PATHWAY AND THERAPEUTIC USES THEREOF BIOSPLICE THERAPEUTICS INC (US) 2026-04-30 US disclosed
US-12570626-B2 Degraders and degrons for targeted protein degradation C4 THERAPEUTICS, INC. (US) 2026-03-10 US disclosed
US-12545689-B2 Macrocyclic LRRK2 kinase inhibitors ONCODESIGN PRECISION MEDICINE (FR) 2026-02-10 US disclosed
US-12528767-B2 HDAC6 inhibitors and uses thereof EIKONIZO THERAPEUTICS, INC. (US) 2026-01-20 US disclosed
WO-2025264844-A1 HETEROCYCLIC GPR52 MODULATORS AND METHODS OF USE THEREOF LIEBER INSTITUTE, INC. (US) 2025-12-26 WO disclosed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
WO-2000066555-A1 THIO-OXINDOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066167-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING INDOLINE DERIVATIVES AND PROGESTATIONAL AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066556-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN disclosed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 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-12545689-B2 Macrocyclic LRRK2 kinase inhibitors LRRK2, SNCA, ROS1 ALDH1A1 2875/4885ERN1 487/4885CYP17A1 4425/4885
US-12570626-B2 Degraders and degrons for targeted protein degradation ADRM1, UCHL3, USP30 ALDH1A1 3506/4885ERN1 1903/4885CYP17A1 2251/4885
US-12528767-B2 HDAC6 inhibitors and uses thereof HDAC6, HDAC1, HDAC11 ALDH1A1 1772/4885ERN1 2949/4885CYP17A1 2785/4885
US-20260132149-A1 Bridged Cyclic 5-Amino-6,8-Dihydro-1H-Furo[3,4-D]Pyrrolo[3,2-B]Pyridine-2-Carboxamide Compounds, Compositions Thereof, and Methods of Treatment Therewith MECP2, PRMT5, DNMT1 ALDH1A1 3924/4885ERN1 3687/4885CYP17A1 4694/4885
US-20260116878-A1 INDAZOLE INHIBITORS OF THE WNT SIGNAL PATHWAY AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A ALDH1A1 1879/4885ERN1 2224/4885CYP17A1 701/4885
US-20090012304-A1 preparation of intermediates 3-[3-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)phenoxy]-5-difluoromethyl-benzonitrile derivatives; for making enzyme inhibitors of HIV-1 reverse transcriptase, treating AIDS and HIV-1 syndromes POLRMT, TYMS, POLR1G ALDH1A1 945/4885ERN1 637/4885CYP17A1 704/4885

“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.