SCHEMBL91482

SCHEMBL91482

COCC(=O)NCCNc1nccc(C)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FASN P49327 1/20 0.40
MAPK1 P28482 1/20 0.39
SPR P35270 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL15185726 0.85 FASN (0.42) KDM4EHSD17B10MEN1KMT2ATDP1
SCHEMBL10224750 0.84 HPGD (0.45) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL84434 0.83 HPGD (0.44) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL13402951 0.81 KDM4E (0.58) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL10225052 0.81 CYP1A2 (0.50) KDM4EHSD17B10ALDH1A1KMT2AL3MBTL1
SCHEMBL91474 0.78 MAPK14 (0.41) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL91491 0.78 SYK (0.41) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL91582 0.76 MKNK1 (0.51) KDM4EHSD17B10ALDH1A1NPSR1
SCHEMBL13524816 0.74 EIF2AK2 (0.54) HSD17B10ALDH1A1LMNANPC1RAB9A
SCHEMBL10225045 0.73 MAPK1 (0.59) ALDH1A1MEN1KMT2ANPC1RAB9A

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
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS KDM4E 3041/4885HPGD 2043/4885HSD17B10 3523/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS KDM4E 2526/4885HPGD 1378/4885HSD17B10 2337/4885

“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.