SCHEMBL793201

SCHEMBL793201

NNC(=O)c1ccc(Br)cc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.65
ALDH1A1 P00352 6/20 0.58
GAA P10253 4/20 0.58
LMNA P02545 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
OGG1 O15527 1/20 0.50
KDM4E B2RXH2 2/20 0.48
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
GPR27 Q9NS67 1/20 0.47
GFER P55789 1/20 0.46
MAPT P10636 3/20 0.44
MAP2K1 Q02750 2/20 0.44
POLB P06746 1/20 0.43

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 SCHEMBL788689 0.98 DGAT1 (0.62) DGAT1ALDH1A1GAALMNANPC1
SCHEMBL15471932 0.85 OGG1 (0.50) DGAT1ALDH1A1GAALMNANPC1
SCHEMBL13485811 0.85 DGAT1 (0.63) DGAT1ALDH1A1GAALMNANPC1
SCHEMBL27007857 0.85 DGAT1 (0.63) DGAT1ALDH1A1GAALMNANPC1
SCHEMBL26838419 0.84 TMEM97 (0.59) DGAT1ALDH1A1GAALMNANPC1
Hydrochloric Acid SCHEMBL1692627 0.84 DGAT1 (0.49) DGAT1ALDH1A1GAALMNANPC1
SCHEMBL21638090 0.82 OGG1 (0.55) DGAT1ALDH1A1GAALMNAKMT2A
SCHEMBL1648482 0.81 DGAT1 (0.59) DGAT1ALDH1A1GAALMNANPC1
SCHEMBL108531 0.81 CES2 (0.61) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL3346723 0.81 DGAT1 (0.54) DGAT1ALDH1A1GAALMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3953360-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN LA ROCHE (CH) 2024-02-28 EP disclosed
US-20220135591-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN-LA ROCHE INC. (US) 2022-05-05 US disclosed
EP-3953360-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. Hoffmann-La Roche AG (CH) 2022-02-16 EP disclosed
CN-113767105-A Heterocyclic compounds as inhibitors of monoacylglycerol lipases (MAGL) 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
WO-2020207941-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. HOFFMANN-LA ROCHE AG (CH) 2020-10-15 WO disclosed
US-20130196971-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-01 US disclosed
EP-2615918-A1 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-24 EP disclosed
WO-2012037298-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
US-20100004221-A1 THIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-01-07 US disclosed
EP-2119719-A1 THIAZEPINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-11-18 EP disclosed
WO-2007034282-A2 DIARYL-IMIDAZOLE COMPOUNDS CONDENSED WITH A HETEROCYCLE AS C3A RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-03-29 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-20100004221-A1 THIAZEPINE DERIVATIVE HSD11B1, HSD17B1, HSD3B1 DGAT1 234/4885ALDH1A1 28/4885GAA 2252/4885
US-20220135591-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) MGLL, LIPC, PNLIP DGAT1 60/4885ALDH1A1 328/4885GAA 63/4885
US-20130196971-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 DGAT1 38/4885ALDH1A1 548/4885GAA 1780/4885

“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.