SCHEMBL91471

SCHEMBL91471

CO[C@@H](C)C(=O)NC[C@@H](C)Nc1nccc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FASN P49327 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL84419 0.86 MAPK14 (0.34) MAPK14KMT2AMAPTL3MBTL1
SCHEMBL91474 0.82 MAPK14 (0.41) MAPK14LMNANPC1RAB9AFASN
SCHEMBL91492 0.80 ACACB (0.40) LMNANPC1RAB9AFASNNPSR1
SCHEMBL14030746 0.74 MAPK14 (0.50) MAPK14NPC1RAB9ANPSR1MAPT
SCHEMBL15185771 0.72 DHODH (0.45) MAPK14LMNANPC1RAB9AFASN
SCHEMBL91404 0.70 BRAF (0.47)
SCHEMBL21549963 0.70 NPSR1 (0.40) MAPK14LMNANPC1RAB9AFASN
SCHEMBL84421 0.69 SMN1; SMN2 (0.37) MAPK14LMNANPC1RAB9AMEN1
SCHEMBL19699460 0.69 L3MBTL1 (0.51) LMNANPC1RAB9AFASNNPSR1
SCHEMBL91488 0.68 HRH4 (0.50) LMNANPC1RAB9ANPSR1ALOX15

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 MAPK14 484/4885LMNA 2861/4885NPC1 4113/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPK14 218/4885LMNA 3165/4885NPC1 3321/4885

“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.