SCHEMBL387186

SCHEMBL387186

COc1ccc(F)c(C=O)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.61
ALDH1A1 P00352 7/20 0.58
TRIM24 O15164 1/20 0.56
TYR P14679 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
NFE2L2 Q16236 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
CYP2A6 P11509 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
RELA Q04206 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
SCHEMBL245504 0.84 ALDH1A1 (0.63) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL18143780 0.83 NFE2L2 (0.65) ALDH1A1NFE2L2CYP1A2KDM4ECYP2A6
SCHEMBL18143779 0.83 NFE2L2 (0.65) ALDH1A1NFE2L2CYP1A2KDM4ECYP2A6
Hydrochloric Acid SCHEMBL28823895 0.82 ALDH1A1 (0.61) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL28337714 0.82 NFE2L2 (0.50) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL19497473 0.81 TAAR1 (0.47) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL29957021 0.81 ALDH1A1 (0.70) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL12672585 0.81 ALDH1A1 (0.70) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL3548328 0.80 HPGD (0.54) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL16958554 0.80 NFE2L2 (0.49) ERN1ALDH1A1TRIM24TYRTRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114981247-A Piperazine compounds for inhibiting CPS1 卫材R&D管理有限公司 2022-08-30 CN claimed
EP-4426683-B1 BENZODIAZEPINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE GABA A GAMMA1 RECEPTOR HOFFMANN LA ROCHE (CH) 2026-04-01 EP disclosed
US-20260070912-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2026-03-12 US disclosed
US-20260035341-A1 FTO INHIBITORS RPXDS CO LTD (CN) 2026-02-05 US disclosed
US-20260028334-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2026-01-29 US disclosed
US-20250388586-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN LA ROCHE (US) 2025-12-25 US disclosed
US-12428413-B2 Rho kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2025-09-30 US disclosed
US-12422399-B2 Systems, devices, and methods for gas sensing MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2025-09-23 US disclosed
US-20250276966-A1 Nitrogen-Linked Benzisoxazole Sulfonamide Derivatives PFIZER (US) 2025-09-04 US disclosed
US-12344605-B2 Substituted pyrrolidine amides II GRUENENTHAL GMBH (DE) 2025-07-01 US disclosed
EP-0733037-A1 ARYL SUBSTITUTED AMINO ACIDS, CNS INFLUENCING AGENTS UNIVERSITY OF BRISTOL (GB) 1996-09-25 EP disclosed
US-5541228-A Melatonergic agents BRISTOL-MYERS SQUIBB CO. (US) 1996-07-30 US disclosed
EP-0546583-B1 Piperazinyl-and piperidinyl-cyclohexanols BRISTOL MYERS SQUIBB CO (US) 1996-05-22 EP disclosed
US-5519133-A CYCLIZATION, ALKYLATION AMERICAN CYANAMID CO. (US) 1996-05-21 US disclosed
EP-0706994-A1 Melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-17 EP disclosed
US-5478828-A Anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-12-26 US disclosed
WO-1995015941-A1 ARYL SUBSTITUTED AMINO ACIDS, CNS INFLUENCING AGENTS UNIVERSITY OF BRISTOL (GB) 1995-06-15 WO disclosed
US-5387593-A Anxiolytic agents BRISTON-MYERS SQUIBB (US) 1995-02-07 US disclosed
EP-0546583-A1 Piperazinyl-and piperidinyl-cyclohexanols Bristol-Myers Squibb Company (US) 1993-06-16 EP disclosed
EP-0225175-A2 Dihydropyridine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-06-10 EP 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 (7 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-12428413-B2 Rho kinase inhibitors and compositions and methods of use thereof ROCK1, ROCK2, RHOA ERN1 705/4885ALDH1A1 4692/4885TRIM24 3029/4885
US-20260035341-A1 FTO INHIBITORS FTO, LDLR, GPR119 ERN1 1140/4885ALDH1A1 1334/4885TRIM24 2991/4885
US-20250388586-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM GABRA1, GABRB1, GABRA6 ERN1 1963/4885ALDH1A1 765/4885TRIM24 2969/4885
US-12344605-B2 Substituted pyrrolidine amides II NR3C1, NR3C2, MC2R ERN1 2741/4885ALDH1A1 1258/4885TRIM24 3680/4885
US-20250276966-A1 Nitrogen-Linked Benzisoxazole Sulfonamide Derivatives CCNI, MKI67, CCNA1 ERN1 1767/4885ALDH1A1 792/4885TRIM24 3809/4885
US-20260028334-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER LDHA, LDHB, SLC6A1 ERN1 2032/4885ALDH1A1 129/4885TRIM24 4660/4885
US-20260070912-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM GABRA1, GABRB1, GABRA6 ERN1 1729/4885ALDH1A1 665/4885TRIM24 2942/4885

“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.