SCHEMBL13199178

SCHEMBL13199178

O=C(Cc1cccc(O)c1)NNC(=O)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
TP53 P04637 1/20 0.55
MAPK1 P28482 1/20 0.55
NLRP3 Q96P20 1/20 0.55
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PLAU P00749 1/20 0.50
ELANE P08246 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.49
ATM Q13315 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
HDAC3 O15379 1/20 0.47

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
SCHEMBL13199110 0.90 KDM4E (0.55) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL13199201 0.87 NPC1 (0.55) NPC1RAB9ANLRP3MEN1KMT2A
SCHEMBL13199231 0.87 TDP1 (0.62) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL13199195 0.86 ALDH1A1 (0.58) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL13199232 0.86 NLRP3 (0.55) NPC1RAB9ANLRP3MEN1KMT2A
SCHEMBL13199160 0.86 TDP1 (0.55) NPC1RAB9ANLRP3MEN1KMT2A
SCHEMBL13199129 0.85 ALDH1A1 (0.57) NPC1RAB9ATP53NLRP3MEN1
SCHEMBL13199217 0.84 ALDH1A1 (0.53) NPC1RAB9AMAPK1NLRP3MEN1
SCHEMBL13199235 0.84 KDM4E (0.50) MAPK1NLRP3MEN1KMT2APOLB
SCHEMBL14098304 0.84 KMT2A (0.57) NPC1RAB9AMAPK1NLRP3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767716-B2 Acyl hydrazines as kinase inhibitors, in particular for SGK MERCK PATENT GMBH (DE) 2010-08-03 US disclosed
US-7767716-B2 Acyl hydrazines as kinase inhibitors, in particular for SGK MERCK PATENT GMBH (DE) 2010-08-03 US disclosed
EP-1866280-B1 ACYL HYDRAZIDES AS KINASE INHIBITORS, IN PARTICULAR FOR SGK MERCK PATENT GMBH (DE) 2008-08-13 EP disclosed
US-20080167380-A1 Acyl Hydrazines as Kinase Inhibitors, in Particular for Sgk MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
US-20080167380-A1 Acyl Hydrazines as Kinase Inhibitors, in Particular for Sgk MERCK PATENT GMBH (DE) 2008-07-10 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 (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-20080167380-A1 Acyl Hydrazines as Kinase Inhibitors, in Particular for Sgk SGK1, AGK, SGK2 NPC1 2228/4885RAB9A 1168/4885TP53 4760/4885

“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.