SCHEMBL3459876

SCHEMBL3459876

Cc1c(N)cc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
RAPGEF4 Q8WZA2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HDAC4 P56524 1/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
PIK3CA P42336 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31

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
Hydrochloric Acid SCHEMBL22366757 0.97 ALDH1A1 (0.42) ALDH1A1RAPGEF4L3MBTL1HDAC4CYP3A4
Hydrochloric Acid SCHEMBL29399312 0.97 ALDH1A1 (0.42) ALDH1A1RAPGEF4L3MBTL1HDAC4CYP3A4
Hydrochloric Acid SCHEMBL22366756 0.95 ALDH1A1 (0.41) ALDH1A1RAPGEF4L3MBTL1HDAC4
SCHEMBL3670715 0.86 CYP3A4 (0.43) ALDH1A1L3MBTL1CYP3A4TSHRMAPK1
SCHEMBL67360 0.80 RAPGEF4 (0.42) ALDH1A1RAPGEF4HDAC4GAAHDAC1
SCHEMBL12950434 0.79 KDM4E (0.45) ALDH1A1CYP3A4TSHRMAPK1PIK3CA
SCHEMBL1548545 0.79 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRMAPK1PIK3CA
SCHEMBL19142238 0.79 CYP3A4 (0.38) ALDH1A1RAPGEF4CYP3A4TSHRMAPK1
SCHEMBL29454259 0.75 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPK1GAAHTT
SCHEMBL560909 0.75 CYP3A4 (0.35) ALDH1A1CYP3A4TSHRMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4295441-A None JP disclosed
WO-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 WO disclosed
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
US-20240067614-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD. (GB) 2024-02-29 US disclosed
US-20240067614-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD. (GB) 2024-02-29 US disclosed
EP-3700904-B1 4H-PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES BAYER AG (DE) 2023-07-19 EP disclosed
US-20230192629-A1 METHODS OF SYNTHESIZING FARNESYL DIBENZODIAZEPINONES AMO PHARMA LTD. (US) 2023-06-22 US disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed
WO-2021243171-A1 METHODS OF SYNTHESIZING FARNESYL DIBENZODIAZEPINONES AMO PHARMA LTD (US) 2021-12-02 WO disclosed
WO-2020216774-A1 4H-PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-10-29 WO disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
EP-2262807-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2010-12-22 EP disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO disclosed
JP-H04295441-A COMPOUND HAVING AROMATIC RING OTSUKA PHARMACEUT CO LTD 1992-10-20 JP disclosed
US-4338318-A FUNGICIDE OR BACERICIDE TO TREAT PLANT DISEASES WITH A PHENYL URACIL ZOECON CORPORATION (US) 1982-07-06 US disclosed
US-4297297-A α-Cyano-β-(substituted-anilino)-N-ethoxycarbonylacrylamide intermediates ZOECON CORP. (US) 1981-10-27 US disclosed
US-4266056-A FUNGICIDES, BACTERICIDES ZOECON CORPORATION (US) 1981-05-05 US 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-20240067614-A1 NOVEL COMPOUNDS CYP11B1, CYP11B2, CXCR2 ALDH1A1 478/4885RAPGEF4 3097/4885L3MBTL1 4306/4885
US-20230192629-A1 METHODS OF SYNTHESIZING FARNESYL DIBENZODIAZEPINONES FNTB, FNTA, FDPS ALDH1A1 1022/4885RAPGEF4 985/4885L3MBTL1 3660/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 ALDH1A1 2215/4885RAPGEF4 2316/4885L3MBTL1 3978/4885

“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.