SCHEMBL3835217

SCHEMBL3835217

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.55
PLAU P00749 1/20 0.54
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PKM P14618 1/20 0.54
MEN1 O00255 1/20 0.53
NLRP3 Q96P20 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
HTT P42858 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49

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
SCHEMBL3834385 0.85 PLAU (0.51) PLAUNPC1RAB9AKMT2AMEN1
SCHEMBL3829507 0.84 KCNK3 (0.45) NPC1RAB9AALDH1A1KMT2ATP53
SCHEMBL3835969 0.83 CA1 (0.53) RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL1547971 0.82 KDM4E (0.51) RXFP1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL3217005 0.82 JAK2 (0.50) PLAUALDH1A1SMN1; SMN2
SCHEMBL3834401 0.79 NAMPT (0.55) NPC1RAB9A
SCHEMBL3195750 0.79 KIF11 (0.53) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL3205729 0.79 KIF11 (0.43) RAB9AALDH1A1KMT2ATP53SMN1; SMN2
SCHEMBL3212546 0.78 JAK2 (0.48) NPC1RAB9AALDH1A1KMT2ATP53
SCHEMBL3220420 0.76 JAK2 (0.47) ALDH1A1KMT2AMEN1

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 RXFP1 3549/4885PLAU 4777/4885NPC1 2210/4885

“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.