SCHEMBL428805

SCHEMBL428805

Cc1cc(Br)ccc1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.60
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
MAPT P10636 5/20 0.46
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
NPC1 O15118 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
JAK2 O60674 1/20 0.41
BTK Q06187 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CES2 O00748 1/20 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
SCHEMBL6611609 0.85 MKNK1 (0.56) DGAT1MKNK1MKNK2MAPTKDM4E
SCHEMBL31200433 0.83 DGAT1 (0.55) DGAT1MAPTPARP1KDM4EGLA
SCHEMBL1788262 0.83 DGAT1 (0.55) DGAT1MAPTPARP1KDM4EGLA
SCHEMBL30753064 0.81 KDM4E (0.53) FLT1FLT4KDRKDM4EGLA
SCHEMBL3173571 0.81 FLT1 (0.46) DGAT1MAPTFLT1FLT4KDR
SCHEMBL6360 0.81 KDM4E (0.53) FLT1FLT4KDRKDM4EGLA
SCHEMBL117133 0.81 MAPT (0.49) DGAT1MAPTFLT1FLT4KDR
SCHEMBL29420640 0.81 MAPT (0.49) DGAT1MAPTFLT1FLT4KDR
SCHEMBL2344362 0.80 DGAT1 (0.67) DGAT1MAPTPARP1KDM4EGLA
SCHEMBL8155359 0.80 DGAT1 (0.47) DGAT1MAPTPARP1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-20090312390-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON, INC. (CH) 2009-12-17 US claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
JP-2007523865-A 2007-08-23 JP claimed
EP-1430120-A4 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON INC (CH) 2007-06-20 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US 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-1430120-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA Alcon, Inc. (CH) 2004-06-23 EP claimed
WO-2003027275-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON, INC. (CH) 2003-04-03 WO claimed
EP-1200415-A1 DIAMINO-1,2,4-TRIAZOLE-CARBOXYLIC ACID DERIVATIVES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-05-02 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2001009106-A1 DIAMINO-1,2,4-TRIAZOLE-CARBOXYLIC AND DERIVATIVES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-02-08 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
CN-122079899-A Application of pharmaceutical composition in preparation of medicines for preventing or treating diseases related to Sirttail 7 protein 2026-05-26 CN disclosed
WO-2001009106-A1 DIAMINO-1,2,4-TRIAZOLE-CARBOXYLIC AND DERIVATIVES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-02-08 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 (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-20090312390-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA GSK3B, GSK3A, GSKIP DGAT1 1143/4885MKNK1 321/4885MKNK2 607/4885
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 2288/4885MKNK1 4800/4885MKNK2 4698/4885

“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.