SCHEMBL3836019

SCHEMBL3836019

NC(=O)Nc1[nH]c2cc(C(=O)NC3CC3)ccc2c1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 10/20 0.49
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
CHEK1 O14757 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3830963 0.95 RAB9A (0.49) SMYD3NPC1RAB9ALMNAALDH1A1
SCHEMBL3834363 0.90 KDR (0.44) SMYD3NPC1RAB9ALMNAALDH1A1
SCHEMBL14236109 0.88 ALDH1A1 (0.39) SMYD3NPC1RAB9ALMNACHEK1
SCHEMBL13613301 0.86 L3MBTL1 (0.37) SMYD3NPC1RAB9ALMNACHEK1
SCHEMBL14235995 0.85 RAB9A (0.49) SMYD3NPC1RAB9ALMNACHEK1
SCHEMBL3197147 0.83 PARP1 (0.44) ALDH1A1KDM4EGAAHSD17B10
SCHEMBL13613365 0.81 TERT (0.44) NPC1RAB9AALDH1A1KDM4EGAA
SCHEMBL3829261 0.80 KDM4E (0.54) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL3205729 0.80 KIF11 (0.43) RAB9AALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL3834385 0.80 PLAU (0.51) NPC1RAB9ALMNA

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
EP-2119703-B1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-12-12 EP disclosed
EP-2119703-B1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-12-12 EP disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP 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 (1 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-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY NFKBIA, IKBKB, IKBKG SMYD3 2766/4885NPC1 2210/4885RAB9A 3159/4885

“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.