SCHEMBL1845263

SCHEMBL1845263

COC(=O)c1nc(NC(=O)c2cccc(OC)c2)sc1C(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.62
RAB9A P51151 11/20 0.62
SMN1; SMN2 Q16637 8/20 0.62
ALDH1A1 P00352 5/20 0.62
G6PD P11413 1/20 0.62
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
SCD O00767 2/20 0.59
DHODH Q02127 1/20 0.59
TP53 P04637 4/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.54
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL1845273 0.91 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1G6PD
SCHEMBL5836282 0.76 CCNE1 (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1G6PD
SCHEMBL31065 0.74 SCD (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL3591591 0.74 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1G6PD
SCHEMBL4916511 0.74 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1845956 0.74 PIK3CA (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2876115 0.73 MEN1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2752602 0.73 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL13156873 0.72 NPC1 (0.74) NPC1RAB9ASMN1; SMN2ALDH1A1G6PD
SCHEMBL16742048 0.72 SCD (0.85) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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
EP-1467969-B1 DNA MINOR GROOVE BINDING COMPOUNDS UNIV STRATHCLYDE (GB) 2011-05-18 EP disclosed
US-7700765-B2 DNA minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2010-04-20 US disclosed
US-20070117760-A1 Dna minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2007-05-24 US disclosed
EP-1467969-A2 DNA MINOR GROOVE BINDING COMPOUNDS The University of Strathclyde (GB) 2004-10-20 EP disclosed
WO-2003059881-A2 DNA MINOR GROOVE BINDING COMPOUNDS UNIVERSITY OF STRATHCLYDE (GB) 2003-07-24 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-20070117760-A1 Dna minor groove binding compounds PCNA, POLL, POLM NPC1 2675/4885RAB9A 4832/4885SMN1; SMN2 4093/4885

“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.