SCHEMBL67777

SCHEMBL67777

COCC(=O)NC(C)C[NH]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ACACB O00763 2/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ACACA Q13085 1/20 0.35
ALDH1A1 P00352 3/20 0.34
PSMB5 P28074 1/20 0.33
THRB P10828 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL13744711 0.81 TSHR (0.46) TSHRACACBHPGDSMN1; SMN2LMNA
SCHEMBL13638820 0.81 TSHR (0.46) TSHRACACBHPGDSMN1; SMN2LMNA
SCHEMBL23480156 0.81 MMP1 (0.50) TSHRACACBHPGDSMN1; SMN2THRB
SCHEMBL67778 0.79 TSHR (0.44) TSHRACACBHPGDSMN1; SMN2LMNA
SCHEMBL1036877 0.78
SCHEMBL68679 0.76
SCHEMBL14948951 0.75 TSHR (0.41) TSHRACACBHPGDSMN1; SMN2LMNA
SCHEMBL24242137 0.74 SMN1; SMN2 (0.49) TSHRACACBHPGDSMN1; SMN2LMNA
SCHEMBL24327805 0.73 ACACB (0.39) TSHRACACBHPGDSMN1; SMN2LMNA
SCHEMBL24313555 0.73 KMT2A (0.42) TSHRACACBHPGDSMN1; SMN2LMNA

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 7 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
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP disclosed
WO-2010100127-A1 DISUBSTITUTED IMIDAZOLE DERIVATIVES AS MODULATORS OF RAF KINASE NOVARTIS AG (CH) 2010-09-10 WO disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO 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 TSHR 3286/4885ACACB 1921/4885HPGD 2043/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS TSHR 3980/4885ACACB 1032/4885HPGD 1378/4885

“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.