SCHEMBL684093

SCHEMBL684093

Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.75
RAB9A P51151 4/20 0.75
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
MAPT P10636 3/20 0.75
PKM P14618 2/20 0.75
KDM4E B2RXH2 1/20 0.75
LMNA P02545 2/20 0.68
POLB P06746 2/20 0.68
APEX1 P27695 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
MAPK1 P28482 1/20 0.67
BCAT2 O15382 1/20 0.62
EPHX1 P07099 1/20 0.58
EPHX2 P34913 1/20 0.58
MAOB P27338 3/20 0.57
PRMT1 Q99873 1/20 0.56
MAOA P21397 1/20 0.56
PTGS1 P23219 2/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL667807 0.90 BCAT2 (0.77) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL29771745 0.89 MEN1 (0.66) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL10890300 0.89 MEN1 (0.66) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14972673 0.89 MEN1 (0.66) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2681347 0.86 NPC1 (0.80) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6557523 0.85 NPC1 (0.77) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8460312 0.85 NPC1 (0.78) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL10192062 0.83 NPC1 (0.75) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6078205 0.83 NPC1 (0.75) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL16589430 0.83 NPC1 (0.75) NPC1RAB9AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 WO 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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB NPC1 1978/4885RAB9A 2275/4885MEN1 1490/4885

“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.