SCHEMBL91491

SCHEMBL91491

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.41
KDM4E B2RXH2 2/20 0.40
ACACB O00763 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FASN P49327 1/20 0.38
BRAF P15056 4/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL84383 0.86 SYK (0.40) SYKACACBTSHRBRAFHPGD
SCHEMBL91404 0.86 BRAF (0.47) BRAF
SCHEMBL91477 0.83 ACACB (0.51) ACACBFASN
SCHEMBL91492 0.82 ACACB (0.40) ACACBMEN1KMT2ANPC1RAB9A
SCHEMBL91403 0.81 ACACB (0.40) ACACBFASNBRAF
SCHEMBL91483 0.81 FASN (0.42) ACACBKMT2AL3MBTL1NPC1RAB9A
SCHEMBL91474 0.80 MAPK14 (0.41) KDM4EMEN1KMT2ATDP1L3MBTL1
SCHEMBL91402 0.79 ACACB (0.39) KDM4EACACBTSHRFASNBRAF
SCHEMBL15185738 0.79 ESR1 (0.41) ACACBKMT2ANPC1RAB9AFASN
SCHEMBL13402951 0.78 KDM4E (0.58) KDM4EMEN1KMT2ATDP1L3MBTL1

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 SYK 1136/4885KDM4E 3041/4885ACACB 1921/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS SYK 1204/4885KDM4E 2526/4885ACACB 1032/4885

“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.