SCHEMBL2276554

SCHEMBL2276554

CCn1c(CNC)cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.40
TP53 P04637 2/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38
ADRB2 P07550 1/20 0.38
CYP2A6 P11509 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM1A O60341 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL4438165 0.82 CCR2 (0.51) PPARGTP53MTNR1AMTNR1B
SCHEMBL11504340 0.82 HTT (0.42) KMT2APPARGTP53TSHRCA12
SCHEMBL27990422 0.80 L3MBTL1 (0.56) KMT2ACYP1A2KDM4EALDH1A1POLB
SCHEMBL28206798 0.79 CA12 (0.40) KMT2APPARGTP53TSHRCA12
SCHEMBL11396410 0.79 CA12 (0.40) KMT2APPARGCA12CA9CYP1A2
SCHEMBL11389628 0.79 HTT (0.43) KMT2ATP53TSHRCA12CA9
SCHEMBL1092961 0.79 KDM1A (0.55) KMT2AKDM4EALDH1A1KDM1APOLB
SCHEMBL11390081 0.79 CA12 (0.43) KMT2APPARGTP53TSHRCA12
SCHEMBL11383982 0.79 KMT2A (0.46) KMT2ATP53TSHRMTNR1AMTNR1B
SCHEMBL4022261 0.77 PPARG (0.48) KMT2APPARGTP53MTNR1AMTNR1B

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
US-8173646-B2 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-05-08 US disclosed
US-20110190283-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-08-04 US disclosed
US-7790716-B2 fatty acid biosynthesis inhibitors such as E)-3-(6-aminopyridin-3-yl)-N-methyl-N-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)acrylamide, used fro the treatment of bacterial infections; antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-09-07 US disclosed
US-20090275572-A1 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-7557125-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2009-07-07 US disclosed
US-7524843-B2 N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide as an enzyme inhibitor for both Fab I and Fab K which are used in the biosynthesis of fatty acids; enoyl-acyl-carrier protein renamed Fab 1; bactericides; fungicides; Staphylococcus aureus; antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2009-04-28 US disclosed
US-20080125423-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2008-05-29 US disclosed
US-20050250810-A1 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-11-10 US disclosed
CN-1197860-C FAB I inhibitors SMITHKLINE BEECHAM CORP (CA) 2005-04-20 CN disclosed
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 US disclosed
EP-1226138-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-12-29 EP disclosed
EP-1226138-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
CN-1378542-A Antigen binding fragment I inhibitors SMITHKLINE BEECHAM CORP (US) 2002-11-06 CN disclosed
EP-1226138-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-07-31 EP disclosed
WO-2001027103-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (GB) 2001-04-19 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 (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-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 KMT2A 4427/4885PPARG 3333/4885TP53 2938/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 KMT2A 4427/4885PPARG 3333/4885TP53 2938/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 KMT2A 4427/4885PPARG 3333/4885TP53 2938/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 KMT2A 4427/4885PPARG 3333/4885TP53 2938/4885

“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.