SCHEMBL430192

SCHEMBL430192

COc1cccc(C(=O)c2cccc(-c3cc4ccccc4[nH]3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
PDGFRB P09619 2/20 0.51
PDGFRA P16234 2/20 0.51
FLT3 P36888 2/20 0.51
CNR2 P34972 1/20 0.49
SMO Q99835 2/20 0.48
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 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
SCHEMBL428051 0.94 NPC1 (0.56) NPC1RAB9AMAPTKDM4ECASP3
SCHEMBL427120 0.91 NPC1 (0.63) NPC1RAB9AMAPTKDM4ECASP3
SCHEMBL10176207 0.88 RAB9A (0.57) NPC1RAB9AMAPTKDM4ECASP3
SCHEMBL426111 0.85 SMO (0.55) NPC1RAB9AMAPTKDM4ECASP3
SCHEMBL426115 0.85 NPC1 (0.62) NPC1RAB9AMAPTKDM4ECASP3
SCHEMBL28208371 0.85 RAB9A (0.71) NPC1RAB9AMAPTKDM4ECASP3
SCHEMBL29737278 0.85 RAB9A (0.71) NPC1RAB9AMAPTKDM4ECASP3
SCHEMBL424789 0.84 SMO (0.63) PDGFRBPDGFRASMOSMN1; SMN2
SCHEMBL13814181 0.84 CASP3 (0.54) NPC1RAB9AMAPTKDM4ECASP3
SCHEMBL22887217 0.82 NPC1 (0.53) NPC1RAB9AMAPTKDM4ECASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
WO-2009070645-A1 INDOLES, DERIVATIVES, AND ANALOGS THEREOF AND USES THEREOF THE OHIO UNIVERSITY RESEARCH FOUNDATION (US) 2009-06-04 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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR TUBB, TUBB3, TUBB1 NPC1 3214/4885RAB9A 2378/4885MAPT 56/4885

“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.