SCHEMBL1662632

SCHEMBL1662632

COc1ccc(Br)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.41
ERN1 O75460 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TUBB1 Q9H4B7 3/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KDM1A O60341 2/20 0.35
KCNH2 Q12809 2/20 0.35
KDM1B Q8NB78 2/20 0.35
MAPT P10636 3/20 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
SCHEMBL29532976 1.00 NQO2 (0.41) NQO2ERN1KDM4EALDH1A1TUBB1
SCHEMBL15682035 0.84 CA2 (0.47) NQO2KDM4EALDH1A1TUBB1CA12
SCHEMBL31096136 0.82 TUBB1 (0.41) NQO2ERN1KDM4EALDH1A1TUBB1
SCHEMBL20080003 0.82 NQO2 (0.41) NQO2ERN1KDM4EALDH1A1TUBB1
SCHEMBL31166968 0.82 ALOX5AP (0.46) NQO2ERN1KDM4EALDH1A1TUBB1
SCHEMBL4574409 0.82 TUBB1 (0.41) NQO2ERN1KDM4EALDH1A1TUBB1
SCHEMBL624239 0.82 ALOX5AP (0.46) NQO2ERN1KDM4EALDH1A1TUBB1
SCHEMBL16425171 0.82 NQO2 (0.41) NQO2ERN1KDM4EALDH1A1TUBB1
SCHEMBL16048671 0.80 NQO2 (0.38) NQO2ERN1KDM4EALDH1A1TUBB1
SCHEMBL18614392 0.80 MAPT (0.44) NQO2ERN1KDM4EALDH1A1TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380682-A Synthesis method of 2, 3-difluoro-4-methoxyphenylacetic acid 上海毕得医药科技股份有限公司 2022-04-22 CN claimed
EP-4161931-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-02-18 EP disclosed
WO-2025264645-A1 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2025-12-26 WO disclosed
EP-4665458-A1 INHIBITING ALPHA V BETA8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
EP-4665339-A1 INHIBITING ALPHA V BETA 8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
US-12421191-B2 3-hydroxyoxindole derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2025-09-23 US disclosed
WO-2024173572-A1 INHIBITING α vβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed
WO-2024173570-A1 INHIBITING αvβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed
CN-112538072-B Aminopyrimidine EGFR inhibitors 齐鲁制药有限公司 2024-02-06 CN disclosed
US-20240018103-A1 3-HYDROXYOXINDOLE DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2024-01-18 US disclosed
WO-2012175991-A1 FUSED PENTACYCLIC ANTI - PROLIFERATIVE COMPOUNDS PHARMINOX LIMITED (GB) 2012-12-27 WO disclosed
WO-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-30 US disclosed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
EP-2199270-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-06-23 EP disclosed
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 WO disclosed
CN-1023699-C Difluoromethyl compounds MERCK PATENT GMBH (DE) 1994-02-09 CN disclosed
EP-0394906-A2 Liquid crystalline composition MERCK PATENT GmbH (DE) 1990-10-31 EP disclosed
CN-1039797-A difluoromethyl compound MERCK PATENT GMBH (DE) 1990-02-21 CN 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 (4 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-20240018103-A1 3-HYDROXYOXINDOLE DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH NQO2 1314/4885ERN1 3246/4885KDM4E 4284/4885
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, ESR2 NQO2 2255/4885ERN1 622/4885KDM4E 572/4885
US-12421191-B2 3-hydroxyoxindole derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH NQO2 1314/4885ERN1 3246/4885KDM4E 4284/4885
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 NQO2 2466/4885ERN1 2849/4885KDM4E 1950/4885

“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.