SCHEMBL3317403

SCHEMBL3317403

Cc1ccc(C(=O)NC2CC2)cc1N(S)C(=O)NC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK14 Q16539 10/20 0.46
MAPK11 Q15759 3/20 0.44
PKM P14618 1/20 0.44
SMYD3 Q9H7B4 2/20 0.43
HSPB1 P04792 1/20 0.43
CYP2C9 P11712 1/20 0.43
TACR1 P25103 1/20 0.42

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
SCHEMBL3314906 0.81 HDAC1 (0.40) NPC1RAB9AKMT2ASMN1; SMN2MAPK14
SCHEMBL241982 0.74 HDAC1 (0.68) MAPK14MAPK11
SCHEMBL3317398 0.74 NPC1 (0.67) NPC1RAB9AMEN1KMT2AMAPK14
SCHEMBL124395 0.72 NPC1 (0.79) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2230140 0.72 NPC1 (0.79) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL31367847 0.71 MAPK14 (0.74) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10282601 0.71 GLA (0.64) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL23573216 0.71 NPC1 (0.71) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3086445 0.71 MAPK14 (0.73) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Bicarbonate SCHEMBL11025569 0.71 NPC1 (0.76) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 US disclosed
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 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-20100004298-A1 P-38 INHIBITORS MAPK8, MAPK1, MAP3K8 NPC1 975/4885RAB9A 1215/4885MEN1 4323/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 NPC1 1059/4885RAB9A 1402/4885MEN1 4051/4885

“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.