SCHEMBL2276271

SCHEMBL2276271

Cc1cc(/C=C/C(=O)O)cnc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.50
RAB9A P51151 2/20 0.49
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GLA P06280 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40

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
SCHEMBL2276273 1.00 P4HTM (0.50) P4HTMRAB9ANOS3NOS1NOS2
SCHEMBL24844907 0.83 P4HTM (0.53) P4HTMRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4226657 0.80 P4HTM (0.50) P4HTMRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4226664 0.80 P4HTM (0.50) P4HTMRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2271261 0.79 RAB9A (0.48) P4HTMRAB9ANPSR1KDM4EALDH1A1
SCHEMBL2271256 0.79 RAB9A (0.48) P4HTMRAB9ANPSR1KDM4EALDH1A1
SCHEMBL13408171 0.78 RAB9A (0.44) P4HTMRAB9ANPSR1KDM4EALDH1A1
Cyclopropane SCHEMBL11663526 0.78 P4HTM (0.47) P4HTMRAB9AKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL1253468 0.77 RAB9A (0.43) P4HTMRAB9ANPSR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1253471 0.77 RAB9A (0.43) P4HTMRAB9ANPSR1KDM4EALDH1A1

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 13 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
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
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 P4HTM 2790/4885RAB9A 3129/4885NOS3 3753/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 P4HTM 2790/4885RAB9A 3129/4885NOS3 3753/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 P4HTM 2790/4885RAB9A 3129/4885NOS3 3753/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 P4HTM 2790/4885RAB9A 3129/4885NOS3 3753/4885

“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.