SCHEMBL93024

SCHEMBL93024

OCc1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
AGXT P21549 2/20 0.54
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAOB P27338 1/20 0.42
RIPK1 Q13546 2/20 0.41
DAO P14920 1/20 0.41
MPO P05164 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
GSK3B P49841 1/20 0.38

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
SCHEMBL4316095 1.00 IDO1 (0.54) IDO1AGXTKDM4ESMN1; SMN2CES2
SCHEMBL29061361 0.84 IDO1 (0.46) IDO1AGXTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL25391620 0.83 IDO1 (0.41) IDO1AGXTKDM4ESMN1; SMN2CES2
SCHEMBL8026801 0.82 KIF11 (0.44) IDO1AGXTMAOB
SCHEMBL31085527 0.82 IDO1 (0.40) IDO1AGXTKDM4ESMN1; SMN2CES2
SCHEMBL3309883 0.82 IDO1 (0.40) IDO1AGXTKDM4ESMN1; SMN2CES2
SCHEMBL12852266 0.81 IDO1 (0.50) IDO1AGXTKDM4ESMN1; SMN2CES2
SCHEMBL15904051 0.81 IDO1 (0.50) IDO1AGXTKDM4ESMN1; SMN2CES2
SCHEMBL2335579 0.81 IDO1 (0.50) IDO1AGXTKDM4ESMN1; SMN2CES2
SCHEMBL29696031 0.81 IDO1 (0.50) IDO1AGXTKDM4ESMN1; SMN2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112010844-B Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor 中国药科大学 2023-07-25 CN claimed
CN-115215848-A Protein kinase inhibitor and derivative, preparation method, pharmaceutical composition and application thereof 中国药科大学 2022-10-21 CN claimed
CN-113549018-A Protein kinase inhibitor and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2021-10-26 CN claimed
CN-112010844-A Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor 中国药科大学 2020-12-01 CN claimed
CN-111303179-A Synthesis of norcantharidin carboxylic acid difluoro benzyl ester and anti-tumor application thereof 遵义医科大学 2020-06-19 CN claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
WO-2011034832-A1 SUBSTITUTED PHENOXYMETHYL DIHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 WO claimed
US-7622534-B2 Epoxidation of olefin/diene copolymers using hydrogen peroxide EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-11-24 US claimed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US claimed
WO-2008130435-A2 EPOXIDATION OF OLEFIN/DIENE COPOLYMERS USING HYDROGEN PEROXIDE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-10-30 WO claimed
EP-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115694-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
US-6127581-A Process for preparing fluorinated benzyl alcohols and fluorinated benzaldehydes BAYER AKTIENGESELLSCHAFT (DE) 2000-10-03 US claimed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
EP-0979812-A1 Process for the preparation of fluorinated benzyl alcools and benzyl aldehydes Bayer Aktiengesellschaft (DE) 2000-02-16 EP claimed
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US claimed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 IDO1 4205/4885AGXT 234/4885KDM4E 3976/4885

“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.