SCHEMBL2407431

SCHEMBL2407431

COC(=O)c1ccc(NC(=O)c2cc(C(C)C)c(C(C)C)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
PSMD14 O00487 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
ATM Q13315 1/20 0.48
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
PTPN1 P18031 1/20 0.46
STAT3 P40763 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL2406820 0.87 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL2407269 0.84 MAPT (0.46) THRBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL2407266 0.84 MAPT (0.46) THRBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL2405550 0.83 SMN1; SMN2 (0.53) THRBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2466459 0.82 DEGS1 (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2406391 0.82 KMT2A (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2404915 0.82 KMT2A (0.46) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL2406926 0.82 RAB9A (0.42) THRBNPC1RAB9ASMN1; SMN2CACNA1B
SCHEMBL2408526 0.82 MEN1 (0.43) THRBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL2404218 0.82 POLB (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
EP-2189445-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP disclosed
EP-2189445-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 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-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RXRA, RXRG, RXRB THRB 564/4885NPC1 692/4885RAB9A 542/4885

“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.