SCHEMBL3829261

SCHEMBL3829261

CCCNC(=O)c1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.54
GAA P10253 10/20 0.54
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 4/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
HTR3A P46098 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NAMPT P43490 1/20 0.42
GLA P06280 3/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 3/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
RET P07949 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
SCHEMBL13613365 0.89 TERT (0.44) KDM4EGAARAB9ANPC1KMT2A
SCHEMBL3835143 0.85 GAA (0.39) KDM4EGAARAB9ANPC1KMT2A
SCHEMBL3194784 0.84 PARP1 (0.55) KDM4EGAARAB9ANPC1MAPT
SCHEMBL3829555 0.84 KDM4E (0.53) KDM4EGAARAB9ANPC1KMT2A
SCHEMBL3214633 0.82 IMPDH2 (0.60) KDM4EGAAKMT2AMAPTMEN1
SCHEMBL3205729 0.81 KIF11 (0.43) KDM4EGAARAB9AKMT2AMAPT
SCHEMBL3835969 0.80 CA1 (0.53) KDM4ERAB9AMAPTALDH1A1HTR3A
SCHEMBL3829439 0.80 PARP1 (0.47) KDM4EGAARAB9ANPC1HTT
SCHEMBL3836019 0.80 SMYD3 (0.49) KDM4EGAARAB9ANPC1ALDH1A1
SCHEMBL3197147 0.80 PARP1 (0.44) KDM4EGAAKMT2AALDH1A1HSD17B10

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 6 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
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 KDM4E 1670/4885GAA 3503/4885RAB9A 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.