SCHEMBL150293

SCHEMBL150293

NC(=O)c1ccc(Br)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 1.00
PARP10 Q53GL7 3/20 0.54
PARP15 Q460N3 2/20 0.54
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAP2K1 Q02750 2/20 0.48
MAP2K2 P36507 1/20 0.48
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 1/20 0.42

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 SCHEMBL26618126 0.98 DGAT1 (0.96) DGAT1PARP10PARP15NPC1ALDH1A1
SCHEMBL351693 0.83 DGAT1 (0.71) DGAT1PARP10PARP15NPC1ALDH1A1
SCHEMBL4464312 0.83 DGAT1 (0.70) DGAT1NPC1ALDH1A1LMNAGAA
SCHEMBL17645709 0.81 DGAT1 (0.68) DGAT1PARP10PARP15NPC1ALDH1A1
SCHEMBL156346 0.81 DGAT1 (0.68) DGAT1NPC1ALDH1A1LMNAGAA
SCHEMBL2344362 0.80 DGAT1 (0.67) DGAT1PARP10PARP15ALDH1A1KMT2A
SCHEMBL2095201 0.79 DGAT1 (0.66) DGAT1NPC1ALDH1A1LMNAGAA
SCHEMBL29820628 0.79 DGAT1 (0.66) DGAT1NPC1ALDH1A1LMNAGAA
SCHEMBL11991639 0.79 DGAT1 (0.66) DGAT1NPC1ALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL2349044 0.79 DGAT1 (0.66) DGAT1NPC1ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110642741-A Functionalized benzamide derivatives as antiviral agents against HBV infection 巴鲁克斯布隆伯格研究所 2020-01-03 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP claimed
US-9309248-B2 Azaindolines HOFFMANN-LA ROCHE INC. (US) 2016-04-12 US claimed
US-20150307443-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION BARUCH S BLUMBERG INST (US) 2015-10-29 US claimed
EP-2928459-A2 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION Baruch S. Blumberg Institute (US) 2015-10-14 EP claimed
US-20150266879-A1 AZAINDOLINES HOFFMANN-LA ROCHE INC. 2015-09-24 US claimed
EP-2906559-A1 AZAINDOLINES F. Hoffmann-La Roche AG (CH) 2015-08-19 EP claimed
WO-2014089296-A2 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH (US) 2014-06-12 WO claimed
WO-2014056871-A1 AZAINDOLINES F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO claimed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US claimed
US-20060116407-A1 Amide derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 US claimed
WO-2006053778-A2 AMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-26 WO claimed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US claimed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO 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 (4 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-20150307443-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, PHB2, PHB1 DGAT1 1135/4885PARP10 1272/4885PARP15 480/4885
US-20150266879-A1 AZAINDOLINES AZI2, H1-5, CCNY DGAT1 4056/4885PARP10 207/4885PARP15 140/4885
US-20060116407-A1 Amide derivatives GLS, SDHA, GLS2 DGAT1 1704/4885PARP10 2621/4885PARP15 1871/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 DGAT1 2288/4885PARP10 1696/4885PARP15 1686/4885

“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.