SCHEMBL3835969

SCHEMBL3835969

COc1cccc(CCNC(=O)c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
RAB9A P51151 1/20 0.52
ROCK2 O75116 5/20 0.50
HTR3A P46098 1/20 0.49
ROCK1 Q13464 1/20 0.49
JAK2 O60674 1/20 0.48
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SNCA P37840 1/20 0.47
CNR1 P21554 1/20 0.47
NR3C2 P08235 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL3194784 0.86 PARP1 (0.55) RAB9AMAPTALDH1A1KDM4EHSD17B10
SCHEMBL3835217 0.83 RXFP1 (0.55) RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL14236521 0.82 PARP1 (0.52) RAB9AMAPTALDH1A1KDM4EHSD17B10
SCHEMBL3829261 0.80 KDM4E (0.54) RAB9AHTR3AMAPTALDH1A1KDM4E
SCHEMBL13613365 0.79 TERT (0.44) RAB9AHTR3AALDH1A1KDM4EHSD17B10
SCHEMBL3214633 0.78 IMPDH2 (0.60) MAPTALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL1547971 0.78 KDM4E (0.51) JAK2MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL3217005 0.77 JAK2 (0.50) JAK2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3646720 0.77 CA1 (0.66) CA1CA2CA7CA9CA14
SCHEMBL16345515 0.77 ROCK2 (0.82) CA1CA2CA7CA9CA14

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 CA1 4275/4885CA2 4047/4885CA7 4722/4885

“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.