SCHEMBL2275824

SCHEMBL2275824

Cc1ccc2c(C=O)cn(C)c2c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
IMPDH2 P12268 2/20 0.62
KDM4E B2RXH2 2/20 0.56
UBE2N P61088 1/20 0.42
POLB P06746 1/20 0.41
PIM3 Q86V86 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 2/20 0.38
PRKCA P17252 1/20 0.38
GSK3B P49841 1/20 0.38
SRC P12931 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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 0.85 ALDH1A1 (0.70) ALDH1A1IMPDH2KDM4EUBE2NPOLB
SCHEMBL2275437 0.85 ALDH1A1 (0.70) ALDH1A1IMPDH2KDM4EUBE2NPOLB
SCHEMBL14612755 0.84 ALDH1A1 (0.47) ALDH1A1IMPDH2KDM4EMAPTLMNA
SCHEMBL1093940 0.82 ALDH1A1 (0.62) ALDH1A1IMPDH2KDM4EPOLBGSK3B
SCHEMBL16502064 0.82 ALDH1A1 (0.62) ALDH1A1IMPDH2KDM4EPIM3GSK3B
SCHEMBL1093250 0.82 ALDH1A1 (0.76) ALDH1A1IMPDH2KDM4EPOLBLMNA
SCHEMBL30995726 0.82 ALDH1A1 (0.62) ALDH1A1IMPDH2KDM4EPOLBGSK3B
SCHEMBL27957969 0.80 ALDH1A1 (0.44) ALDH1A1IMPDH2KDM4EUBE2NPOLB
SCHEMBL13537257 0.80 ALDH1A1 (0.59) ALDH1A1IMPDH2KDM4EUBE2NPOLB
SCHEMBL7832439 0.80 ALDH1A1 (0.59) ALDH1A1IMPDH2KDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109912576-B Cyclic or spirocyclic diamine pyrimidine-hydroxamic acids and their use 华东理工大学 2021-11-19 CN disclosed
CN-109912576-A Cyclic annular or loop coil Diamines pyrimidine-hydroxamic acid and application thereof 华东理工大学 2019-06-21 CN disclosed
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-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
CN-1378542-A Antigen binding fragment I inhibitors SMITHKLINE BEECHAM CORP (US) 2002-11-06 CN disclosed
CN-1077572-C Substituted bisindolylmaleimides for inhibition of cell proliferation HOFFMANN LA ROCHE (CH) 2002-01-09 CN disclosed
CN-1226249-A Substituted bisindolylmaleimides for inhibition of cell proliferation HOFFMANN LA ROCHE (CH) 1999-08-18 CN disclosed
US-5891901-A ANTICARCINOGENIC AGENTS OR ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-04-06 US 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 ALDH1A1 2491/4885IMPDH2 1790/4885KDM4E 4583/4885
US-20090275572-A1 FAB I INHIBITORS SERPINB1, TFPI, TFPI2 ALDH1A1 2491/4885IMPDH2 1790/4885KDM4E 4583/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 ALDH1A1 2491/4885IMPDH2 1790/4885KDM4E 4583/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 ALDH1A1 2491/4885IMPDH2 1790/4885KDM4E 4583/4885

“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.