SCHEMBL6202695

SCHEMBL6202695

CN(C)CCOc1ccc([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.56
CHRNA4 P43681 2/20 0.56
MAPT P10636 6/20 0.47
KDM4E B2RXH2 4/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 6/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
PRKDC P78527 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LTA4H P09960 2/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
SIRT5 Q9NXA8 1/20 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
SCHEMBL4313616 0.87 KCNH2 (0.49) MAPTALDH1A1LMNALTA4HKCNH2
SCHEMBL13900803 0.85 MAPT (0.57) MAPTKDM4EALDH1A1LMNACYP3A4
SCHEMBL4716958 0.83 MAPT (0.49) MAPTKDM4EALDH1A1LMNACYP3A4
SCHEMBL8915357 0.82 MAPT (0.61) CHRNB2CHRNA4MAPTKDM4EGAA
SCHEMBL8702336 0.82 MAPT (0.47) MAPTKDM4EALDH1A1LMNACYP3A4
SCHEMBL10848726 0.82 MAPT (0.47) MAPTKDM4EALDH1A1LMNACYP3A4
SCHEMBL30578533 0.82 MAPT (0.61) CHRNB2CHRNA4MAPTKDM4EGAA
SCHEMBL6117534 0.81 MAPT (0.63) MAPTKDM4EALDH1A1LMNACYP3A4
SCHEMBL10376734 0.81 PDE3B (0.45) MAPTKDM4EALDH1A1LMNASIRT5
SCHEMBL2443194 0.81 MAPT (0.53) MAPTKDM4EALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1266887-B1 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-08-17 EP disclosed
US-6627650-B2 An isomer thereof, or an addition salt thereof with a pharmaceutically acceptable acid or base. Medicinal products containing the same which are useful as anti- cancer agents. LES LABORATOIRES SERVIER (FR) 2003-09-30 US disclosed
US-20030125369-A1 Indeno(1,2-b)indole oximes or indeno(1,2-b) indole hydrazones used as anticancer agent LES LABORATOIRES SERVIER (FR) 2003-07-03 US disclosed
EP-1266887-A2 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-12-18 EP 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 (1 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-20030125369-A1 Indeno(1,2-b)indole oximes or indeno(1,2-b) indole hydrazones used as anticancer agent IDO1, IDO2, AHR CHRNB2 2327/4885CHRNA4 3541/4885MAPT 4727/4885

“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.