SCHEMBL1129619

SCHEMBL1129619

BrCCCc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 1/20 0.50
SIGMAR1 Q99720 3/20 0.43
MAOA P21397 1/20 0.43
ADRA1A P35348 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAOB P27338 2/20 0.42
HTR2A P28223 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41

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
Bromide SCHEMBL15282192 0.92 TDP1 (0.46) TDP1CYP3A4SIGMAR1MAOAADRA1A
SCHEMBL6018672 0.88 TDP1 (0.46) TDP1CYP3A4SIGMAR1MAOAMAOB
SCHEMBL9180385 0.87 TDP1 (0.45) TDP1CYP3A4ADRA1ASLC6A3CHRM2
SCHEMBL81831 0.87 TDP1 (0.70) TDP1SIGMAR1MAOAADRA1ASLC6A3
Bromide SCHEMBL6020033 0.86 TDP1 (0.44) TDP1CYP3A4SIGMAR1MAOAMAOB
Phosphine SCHEMBL7322770 0.84 TDP1 (0.67) TDP1SIGMAR1MAOAADRA1ASLC6A3
SCHEMBL1007355 0.84 TDP1 (0.67) TDP1SIGMAR1MAOAADRA1ASLC6A3
SCHEMBL319391 0.84 TDP1 (0.63) TDP1CYP3A4TRPA1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL28970403 0.84 TDP1 (0.67) TDP1SIGMAR1MAOAADRA1ASLC6A3
SCHEMBL5453551 0.84 TDP1 (0.63) TDP1CYP3A4TRPA1ALDH1A1TSHR

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 12 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
US-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US disclosed
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-04 US disclosed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP disclosed
EP-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP disclosed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO disclosed
WO-1995026729-A1 NEW PROSTAGLANDIN DERIVATIVES FOR THE TREATMENT OF GLAUCOMA OR OCULAR HYPERTENSION PHARMACIA AB (SE) 1995-10-12 WO disclosed
US-4757078-A Antiinflammatory agents, psoriasis E. R. SQUIBB & SONS, INC. (US) 1988-07-12 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-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 TDP1 3255/4885CYP3A4 334/4885SIGMAR1 2114/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 TDP1 3255/4885CYP3A4 334/4885SIGMAR1 2114/4885
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same GLP1R, GCGR, GPR119 TDP1 3923/4885CYP3A4 517/4885SIGMAR1 522/4885

“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.