SCHEMBL91492

SCHEMBL91492

CO[C@@H](C)C(=O)N[C@H](C)CNc1nccc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.40
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FASN P49327 1/20 0.38
BRAF P15056 9/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL84410 0.86 ACACB (0.40) ACACBBRAF
SCHEMBL91404 0.86 BRAF (0.47) BRAF
SCHEMBL91477 0.83 ACACB (0.51) ACACBLMNAFASNNPSR1
SCHEMBL91491 0.82 SYK (0.41) ACACBNPC1RAB9AFASNBRAF
SCHEMBL91403 0.81 ACACB (0.40) ACACBFASNBRAF
SCHEMBL91483 0.81 FASN (0.42) ACACBLMNANPC1RAB9AFASN
SCHEMBL91471 0.80 MAPK14 (0.39) LMNANPC1RAB9AFASNNPSR1
SCHEMBL91402 0.79 ACACB (0.39) ACACBFASNBRAF
SCHEMBL15185738 0.79 ESR1 (0.41) ACACBLMNANPC1RAB9AFASN
SCHEMBL91329 0.77 BRAF (0.41) BRAF

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 ACACB 1921/4885LMNA 2861/4885NPC1 4113/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS ACACB 1032/4885LMNA 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.