SCHEMBL3605156

SCHEMBL3605156

Cc1cc2c(F)ccc(Br)c2o1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
CYP1A1 P04798 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP1B1 Q16678 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL23218304 0.77 ESR2 (0.39) ALDH1A1MAOBSMN1; SMN2CYP1A2KDM4E
SCHEMBL16005132 0.77 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL29558872 0.77 CYP1A2 (0.44) ALDH1A1EGFRKDRSMN1; SMN2CYP1A1
SCHEMBL24947178 0.77 CYP1A2 (0.44) ALDH1A1EGFRKDRSMN1; SMN2CYP1A1
SCHEMBL23218427 0.74 ALDH1A1 (0.45) ALDH1A1EGFRKDRSMN1; SMN2KDM4E
SCHEMBL20562110 0.74 KDM4E (0.44) ALDH1A1EGFRKDRMAOASMN1; SMN2
SCHEMBL2152858 0.73 ESR1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL29784457 0.73 LOXL2 (0.53)
SCHEMBL3603150 0.73 CYP11B1 (0.39) ALDH1A1EGFRKDRKDM4EHPGD
SCHEMBL27185532 0.73 LOXL2 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653613-B1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF BEBETTER MED INC (CN) 2022-11-16 EP disclosed
US-11306102-B2 1,3-di-substituted ketene compound and application thereof BEBETTER MED INC. (CN) 2022-04-19 US disclosed
US-20210122761-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF BEBETTER MED INC. (CN) 2021-04-29 US disclosed
EP-3653613-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF Guangzhou Bebetter Medicine Technology Co., Ltd. (CN) 2020-05-20 EP disclosed
CN-108658908-B 1,3- bis- replaces ketene compounds and its application 广州必贝特医药技术有限公司 2019-05-10 CN disclosed
CN-108658908-A 1,3- bis- substitution ketene compounds and its application 广州必贝特医药技术有限公司 2018-10-16 CN disclosed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP disclosed
EP-0906301-B1 BENZOFURYL DERIVATIVES AND THEIR USE HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5955495-A BENZOFURAN-2-CARBOXAMIDINE OR 2-CARBOXAMIDOXIME COMPOUNDS USEFUL IN THE CONTROL OR PREVENTION OF ILLNESSES OR DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUCH AS MIGRAINE, SCHIZOPHRENIA, ANXIETY STATES, SLEEP DISORDERS, ANOREXIA, ALZHEIMER'S HOFFMANN-LA ROCHE INC. (US) 1999-09-21 US disclosed
EP-0906301-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1999-04-07 EP disclosed
WO-1997042183-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1997-11-13 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 ALDH1A1 1763/4885EGFR 557/4885KDR 799/4885
US-20210122761-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF PPARA, FABP1, PPARG ALDH1A1 1018/4885EGFR 1832/4885KDR 575/4885
US-11306102-B2 1,3-di-substituted ketene compound and application thereof PPARA, FABP1, PPARG ALDH1A1 1018/4885EGFR 1832/4885KDR 575/4885

“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.