SCHEMBL1129623

SCHEMBL1129623

Cc1cc(Cl)nc2c(C)cc(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
DHODH Q02127 1/20 0.42
NQO2 P16083 2/20 0.41
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 1/20 0.39
PARP4 Q9UKK3 2/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
ALDH1A1 P00352 1/20 0.34
EGFR P00533 1/20 0.33
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
PTGFR P43088 1/20 0.32

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
SCHEMBL27261253 0.87 DHODH (0.41) LMNADHODHNQO2CYP2C19KDM4E
SCHEMBL31603057 0.87 DHODH (0.41) LMNADHODHNQO2CYP2C19KDM4E
SCHEMBL30894809 0.77 DHODH (0.36) LMNADHODHNQO2CYP2C19KDM4E
SCHEMBL27261265 0.77 DHODH (0.36) LMNADHODHNQO2CYP2C19KDM4E
SCHEMBL23117576 0.76 NQO2 (0.43) DHODHNQO2CYP2C19PARP4PARP1
SCHEMBL17502184 0.76 MAPT (0.45) LMNADHODHNQO2PARP4PARP1
SCHEMBL4184952 0.76 DHODH (0.41) DHODHNQO2CYP2C19PARP4PARP1
SCHEMBL7264553 0.74 DHFR (0.46) LMNADHODHNQO2PARP4PARP1
SCHEMBL7264434 0.73 NQO2 (0.44) LMNADHODHNQO2KDM4EALDH1A1
SCHEMBL1223950 0.72 CYP2C19 (0.62) CYP2C19KDM4ECYP3A4HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2015-12-24 US disclosed
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 US disclosed
EP-2282742-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009126691-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC (US) 2009-10-15 WO disclosed
EP-0096214-B1 ANTIBACTERIAL PYRIMIDINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-02-27 EP disclosed
US-4710507-A Quinolone inotropic agents PFIZER INC. (US) 1987-12-01 US disclosed
CN-85100796-A The preparation method of qualone derivative 1986-10-01 CN disclosed
EP-0148623-A2 Quinolone inotropic agents Pfizer Limited (GB) 1985-07-17 EP disclosed
EP-0096214-A1 Antibacterial pyrimidine compounds THE WELLCOME FOUNDATION LIMITED (GB) 1983-12-21 EP 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 (2 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-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 LMNA 4025/4885DHODH 402/4885NQO2 727/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 LMNA 4025/4885DHODH 402/4885NQO2 727/4885

“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.