SCHEMBL6038006

SCHEMBL6038006

O=Cc1ccc(NC(=O)CCl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
MITF O75030 2/20 0.59
XBP1 P17861 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NOD2 Q9HC29 1/20 0.59
ALDH1A1 P00352 8/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
HTT P42858 5/20 0.58
PRMT1 Q99873 1/20 0.58
MAPT P10636 6/20 0.53
KMT2A Q03164 5/20 0.53
LMNA P02545 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 3/20 0.53
RNF4 P78317 1/20 0.53
CASP3 P42574 2/20 0.49
CASP2 P42575 1/20 0.49
HPGD P15428 2/20 0.46
OPRM1 P35372 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
SCHEMBL9081388 0.85 NPC1 (0.76) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL1916615 0.84 POLB (0.56) ALDH1A1HTTMAPTKMT2AKDM4E
SCHEMBL8428153 0.83 NPC1 (0.58) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL20195629 0.81 CA1 (0.56) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL11273760 0.81 KDM4E (0.65) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL3732414 0.81 ALDH1A1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8430212 0.80 NPC1 (0.54) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL11128513 0.80 NPC1 (0.63) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL12227565 0.79 MAPT (0.47) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL21177278 0.79 MAPT (0.59) ALDH1A1MAPTKMT2AKDM4EMEN1

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-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
EP-0433451-A1 OXIME DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS AN ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1991-06-26 EP disclosed
WO-1990001874-A1 OXIME DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS AN ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1990-03-08 WO disclosed
EP-0352222-A2 Fibre-reactive formazane dyes, process for their preparation and their use CIBA-GEIGY AG (CH) 1990-01-24 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 NPC1 3663/4885RAB9A 2884/4885MITF 812/4885

“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.