SCHEMBL4250461

SCHEMBL4250461

O=C(NCCOc1ccc(C(=S)NO)cc1)c1cccc(Cl)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.57
RAB9A P51151 4/20 0.57
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGS2 P35354 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
P2RX7 Q99572 1/20 0.42

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
SCHEMBL443845 0.90 NPC1 (0.61) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4252170 0.82 HDAC8 (0.52) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4258483 0.82 MEN1 (0.54) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4257390 0.79 NPC1 (0.71) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4249831 0.79 KMT2A (0.52) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4249441 0.78 KMT2A (0.49) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4252991 0.77 KMT2A (0.56) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL4248684 0.76 KMT2A (0.63) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL4253914 0.76 NPC1 (0.59) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL10494984 0.76 NPC1 (0.82) NPC1RAB9AMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 NPC1 1960/4885RAB9A 3763/4885MEN1 4531/4885

“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.