SCHEMBL2275437

SCHEMBL2275437

Cc1ccc2c(c1)c(C=O)cn2C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
KDM4E B2RXH2 3/20 0.70
IMPDH2 P12268 1/20 0.62
KDR P35968 1/20 0.45
UBE2N P61088 1/20 0.39
POLB P06746 5/20 0.38
MEN1 O00255 4/20 0.38
RAB9A P51151 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 3/20 0.38
USP2 O75604 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SRC P12931 1/20 0.38
GSK3B P49841 1/20 0.37

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
SCHEMBL30995729 1.00 ALDH1A1 (0.70) ALDH1A1KDM4EIMPDH2KDRUBE2N
SCHEMBL10653937 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EIMPDH2KDRPOLB
SCHEMBL2275824 0.85 ALDH1A1 (0.66) ALDH1A1KDM4EIMPDH2UBE2NPOLB
SCHEMBL15759094 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EIMPDH2
SCHEMBL1450678 0.82 ALDH1A1 (0.66) ALDH1A1KDM4EIMPDH2
SCHEMBL1092202 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EIMPDH2KDRPOLB
SCHEMBL13363658 0.82 ALDH1A1 (0.66) ALDH1A1KDM4EIMPDH2POLBMEN1
SCHEMBL5437254 0.82 ALDH1A1 (0.66) ALDH1A1KDM4EIMPDH2KDRGSK3B
SCHEMBL1093666 0.82 ALDH1A1 (0.66) ALDH1A1KDM4EIMPDH2KDRPOLB
SCHEMBL7834898 0.80 ALDH1A1 (0.62) ALDH1A1KDM4EIMPDH2POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108689906-A The hydrazide derivatives and application thereof of indoles substitution 广东东阳光药业有限公司 2018-10-23 CN disclosed
US-20160031812-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN SOLACE PHARMACEUTICALS UK LTD. (GB) 2016-02-04 US disclosed
US-9169234-B2 Sepiapterin reductase inhibitors for the treatment of pain CHILDREN'S MEDICAL CENTER CORPORATION (US) 2015-10-27 US disclosed
US-20120322800-A1 Sepiapterin Reductase Inhibitors For The Treatment of Pain SOLACE PHARMACEUTICALS UK LTD. (GB) 2012-12-20 US disclosed
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-20090324580-A1 Use of Inhibitors of Scavenger Receptor Class Proteins for the Treatment of Infectious Diseases CENIX BIOSCIENCE GMBH (DE) 2009-12-31 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 (7 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-20160031812-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN SPR, QDPR, SRR ALDH1A1 788/4885KDM4E 3528/4885IMPDH2 1115/4885
US-20120322800-A1 Sepiapterin Reductase Inhibitors For The Treatment of Pain SPR, QDPR, SRR ALDH1A1 788/4885KDM4E 3528/4885IMPDH2 1115/4885
US-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 ALDH1A1 2491/4885KDM4E 4583/4885IMPDH2 1790/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 ALDH1A1 2491/4885KDM4E 4583/4885IMPDH2 1790/4885
US-20090324580-A1 Use of Inhibitors of Scavenger Receptor Class Proteins for the Treatment of Infectious Diseases SCARB1, MSR1, HAVCR2 ALDH1A1 511/4885KDM4E 4698/4885IMPDH2 2185/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 ALDH1A1 2491/4885KDM4E 4583/4885IMPDH2 1790/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 ALDH1A1 2491/4885KDM4E 4583/4885IMPDH2 1790/4885

“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.