SCHEMBL1129147

SCHEMBL1129147

BrC(Br)c1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.46
CYP1A2 P05177 2/20 0.46
NOS2 P35228 1/20 0.46
BACE1 P56817 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 5/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
ACHE P22303 1/20 0.42
MGAM O43451 1/20 0.41
S1PR3 Q99500 1/20 0.41
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
AR P10275 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL18426840 0.83 CYP1A2 (0.48) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL9009627 0.81 NCF1 (0.50) NCF1CYP1A2NOS2BACE1CA12
Bromide SCHEMBL1866312 0.81 CYP1A2 (0.47) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL28818196 0.79 S1PR3 (0.47) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL9094486 0.79 S1PR3 (0.47) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL1261380 0.78 CYP1A2 (0.48) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL1459296 0.78 NCF1 (0.41) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL827081 0.77 CYP1A2 (0.52) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL30106721 0.77 NCF1 (0.46) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL10020390 0.77 ALDH1A1 (0.53) NCF1CYP1A2NOS2BACE1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0016061-B1 ORGANIC HALOGEN COMPOUNDS USED IN DIRECT POSITIVE EMULSIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-10 EP claimed
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-7285375-B2 Photosensitive composition, photosensitive lithography plate and method for producing lithography plate KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-10-23 US disclosed
US-20070020555-A1 Photosensitive composition, photosensitive lithography plate and method for producing lithography plate KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-01-25 US disclosed
US-7009055-B2 such as (methyl-sulfonyl)methyl bromo-quinoline by treatment of dibromomethyl bromo-quinoline with sodium methanesulfinate in solvent; chemical intermediates in production of phosphodiesterase inhibitors MERCK & CO., INC. (US) 2006-03-07 US disclosed
US-20040176604-A1 Preparation of sulfonyl quinoline XU FENG (US) 2004-09-09 US disclosed
WO-2003010137-A1 PREPARATION OF SULFONYL QUINOLINE MERCK & CO., INC. (US) 2003-02-06 WO disclosed
EP-0016061-B1 ORGANIC HALOGEN COMPOUNDS USED IN DIRECT POSITIVE EMULSIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-10 EP disclosed
EP-0016061-A4 ORGANIC HALOGEN COMPOUNDS USED IN DIRECT POSITIVE EMULSIONS. DU PONT (US) 1981-08-27 EP disclosed
EP-0016061-A1 ORGANIC HALOGEN COMPOUNDS USED IN DIRECT POSITIVE EMULSIONS. DU PONT (US) 1980-10-01 EP disclosed
WO-1980000040-A1 ORGANIC HALOGEN COMPOUNDS USED IN DIRECT POSITIVE EMULSIONS DU PONT (US) 1980-01-10 WO 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-20040176604-A1 Preparation of sulfonyl quinoline STS, SULT2A1, BRD7 NCF1 3187/4885CYP1A2 1883/4885NOS2 3844/4885
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 NCF1 2864/4885CYP1A2 207/4885NOS2 1783/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 NCF1 2864/4885CYP1A2 207/4885NOS2 1783/4885

“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.