SCHEMBL3609249

SCHEMBL3609249

O=c1cc[nH]c(-c2ccccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
LMNA P02545 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
CCR1 P32246 3/20 0.46
CCR5 P51681 3/20 0.46
CCR8 P51685 3/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45

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
SCHEMBL6653301 0.89 KDM4E (0.56) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL1988750 0.81 KDM4E (0.58) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL6441706 0.79 PDE3B (0.38) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL29529148 0.76 KDM4E (0.54) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL439769 0.76 KDM4E (0.54) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL27768754 0.75 KDM4E (0.52) KDM4ELMNANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4218051 0.74 KDM4C (0.41) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL30049713 0.74 NOTUM (0.58) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL2173850 0.74 NOTUM (0.58) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL14446916 0.74 NPC1 (0.51) KDM4ELMNANPC1RAB9ASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US disclosed
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed
EP-2178835-A1 NOVEL SUBSTITUTED PIPERIDONES AS HSP INDUCERS Torrent Pharmaceuticals Ltd (IN) 2010-04-28 EP disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
WO-2009004650-A1 NOVEL SUBSTITUTED PIPERIDONES AS HSP INDUCERS TORRENT PHARMACEUTICALS LTD. (IN) 2009-01-08 WO disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 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 (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-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 KDM4E 1543/4885LMNA 1805/4885NPC1 876/4885
US-20080287461-A1 Pyridinone Derivatives Against Malaria G6PD, PNPO, PLPBP KDM4E 1311/4885LMNA 2161/4885NPC1 2243/4885

“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.