SCHEMBL11920135

SCHEMBL11920135

COc1ccc2nc(-c3cccc(N=O)c3)[nH]c(=O)c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
HSD17B10 Q99714 2/20 0.54
LMNA P02545 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
GUSB P08236 2/20 0.54
TNKS O95271 1/20 0.54
PARP1 P09874 1/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
TNKS2 Q9H2K2 1/20 0.54
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL30112743 0.85 NPC1 (0.72) KDM4EHSD17B10LMNANPC1RAB9A
SCHEMBL28460671 0.85 NPC1 (0.72) KDM4EHSD17B10LMNANPC1RAB9A
SCHEMBL11919793 0.85 GUSB (0.55) KDM4ENPC1RAB9AGUSBTNKS
SCHEMBL259542 0.83 KDM4E (0.56) KDM4EHSD17B10LMNANPC1RAB9A
SCHEMBL277870 0.82 TNKS (0.56) NPC1RAB9AGUSBTNKSPARP1
SCHEMBL273167 0.82 GUSB (0.51) HSD17B10NPC1RAB9AGUSBTNKS
SCHEMBL28463042 0.81 TNKS (0.74) KDM4EHSD17B10LMNANPC1RAB9A
SCHEMBL259558 0.81 HPGD (0.64) KDM4EHSD17B10LMNANPC1RAB9A
SCHEMBL259519 0.81 KDM4E (0.53) KDM4EHSD17B10LMNANPC1RAB9A
SCHEMBL259490 0.80 KDM4E (0.65) KDM4EHSD17B10LMNANPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202793-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2012-08-09 US disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 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-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 KDM4E 3007/4885HSD17B10 1166/4885LMNA 3392/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA KDM4E 2220/4885HSD17B10 1408/4885LMNA 2599/4885

“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.