SCHEMBL42391

SCHEMBL42391

O=Cc1cc(F)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PRKDC P78527 1/20 0.41
PTPN1 P18031 1/20 0.41
PKM P14618 1/20 0.38
AMY1A P0DUB6 1/20 0.38
LMNA P02545 1/20 0.37
NFE2L2 Q16236 2/20 0.36
RELA Q04206 1/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35

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
Urea SCHEMBL28877160 0.92 ERN1 (0.43) ERN1KDM4EALDH1A1PRKDCPTPN1
SCHEMBL29921177 0.82 KDM4E (0.42) ERN1KDM4EALDH1A1PRKDCPTPN1
SCHEMBL249018 0.82 KDM4E (0.42) ERN1KDM4EALDH1A1PRKDCPTPN1
SCHEMBL21676108 0.79 AMY1A (0.37) KDM4EALDH1A1PKMAMY1ALMNA
SCHEMBL21662131 0.79 RELA (0.49) ERN1PTPN1RELA
SCHEMBL4363014 0.78 ERN1 (0.46) ERN1KDM4EALDH1A1PTPN1LMNA
SCHEMBL29957006 0.78 ERN1 (0.46) ERN1KDM4EALDH1A1PTPN1LMNA
SCHEMBL4031066 0.77 NFE2L2 (0.36) ALDH1A1PKMAMY1ANFE2L2RELA
SCHEMBL30132161 0.77 AMY1A (0.38) ALDH1A1PKMAMY1ALMNANFE2L2
SCHEMBL27563320 0.77 AMY1A (0.38) KDM4EALDH1A1PKMAMY1ANFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115536509-A Synthesis method of 2-bromo-4-hydroxybenzaldehyde 苏州金蚕新材料科技有限公司 2022-12-30 CN claimed
CN-114933607-A Preparation method of 4-fluoro-2-hydroxymethyl phenylboronic acid and cliborole 山东诺明康药物研究院有限公司 2022-08-23 CN claimed
CN-109485664-B Preparation process of antifungal medicine tavaboroluo 北京凯莱天成医药科技有限公司 2022-03-08 CN claimed
CN-110372722-B Method for synthesizing sulfur-nitrogen-containing bis-heterocyclic compound 河南师范大学 2020-08-11 CN claimed
CN-109485664-A A kind of antifungal drug he cut down the preparation process of boron sieve 北京凯莱天成医药科技有限公司 2019-03-19 CN claimed
CN-109312618-A For hydraulic fracturing and for the method and composition of tracer water flooding 光谱追踪服务有限责任公司 2019-02-05 CN claimed
US-10017684-B2 Method and compositions for hydraulic fracturing and for tracing formation water SPECTRUM TRACER SERVICES, LLC (US) 2018-07-10 US claimed
CN-108033910-A A kind of preparation method of 2- benzyls -3,4- dihydros -2H- isoquinoline-1-ketone derivatives 上海应用技术大学 2018-05-15 CN claimed
US-20170306217-A1 METHOD AND COMPOSITIONS FOR HYDRAULIC FRACTURING AND FOR TRACING FORMATION WATER NCS Multistage, LLC 2017-10-26 US claimed
EP-4161642-B1 N-PHENYLAMINOCARBONYL PYRIDINO- , PYRIMIDINO AND BENZO-TROPANES AS MODULATORS OF GPR65 PATHIOS THERAPEUTICS LTD (GB) 2026-05-27 EP disclosed
EP-4720055-A1 CBL-B INHIBITORS AND METHODS OF USE THEREOF Arcus Biosciences, Inc. (US) 2026-04-08 EP disclosed
US-12570602-B2 Selective serotonin receptor modulators and methods of making and using the same Park City Bio, LLC (US) 2026-03-10 US disclosed
US-12564560-B1 Selective serotonin receptor modulators and methods of making and using the same Park City Bio, LLC (US) 2026-03-03 US disclosed
US-20250382304-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT INC (US) 2025-12-18 US disclosed
US-6313139-B1 ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS AKZO NOBEL N. V. (NL) 2001-11-06 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US disclosed
CN-1219169-A Substituted benzylamines and their use for the treatment of depression AKZO NOBEL NV (NL) 1999-06-09 CN disclosed
EP-0898566-A1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION Akzo Nobel N.V. (NL) 1999-03-03 EP disclosed
WO-1997040027-A1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION AKZO NOBEL N.V. (NL) 1997-10-30 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 (3 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-20250382304-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS CYP2C8, ABCB1, PAICS ERN1 2620/4885KDM4E 1381/4885ALDH1A1 1313/4885
US-12570602-B2 Selective serotonin receptor modulators and methods of making and using the same HTR1D, HTR1A, HTR4 ERN1 3339/4885KDM4E 2555/4885ALDH1A1 3289/4885
US-12564560-B1 Selective serotonin receptor modulators and methods of making and using the same HTR5A, HTR1A, HTR1D ERN1 2573/4885KDM4E 2038/4885ALDH1A1 3950/4885

“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.