SCHEMBL424087

SCHEMBL424087

OC(c1cccc(-c2cc3ccccc3[nH]2)c1)c1cc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
CYP19A1 P11511 1/20 0.46
CASP3 P42574 3/20 0.45
SENP8 Q96LD8 3/20 0.45
SENP7 Q9BQF6 3/20 0.45
SENP6 Q9GZR1 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
VCP P55072 4/20 0.42
EGFR P00533 1/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL10227489 0.88 NPC1 (0.62) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL10176178 0.83 NPC1 (0.54) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL426025 0.80 RAB9A (0.57) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL8304969 0.78 NPC1 (0.80) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL28337512 0.78 ALOX5 (0.50) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL424575 0.77 SMO (0.52) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL10176554 0.77 NPC1 (0.62) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL20417819 0.74 AHR (0.49) CYP19A1KDM4EMAPTHPGDEGFR
SCHEMBL11698946 0.73 NPC1 (0.67) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL28461746 0.73 NPC1 (0.78) 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 10 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
CN-101932569-A Indoles, its derivative and analogue and uses thereof UNIV OHIO STATE RES FOUND 2010-12-29 CN disclosed
EP-2222659-A1 INDOLES, DERIVATIVES, AND ANALOGS THEREOF AND USES THEREOF The Ohio State University Research Foundation (US) 2010-09-01 EP disclosed
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-04 US disclosed
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-04 US disclosed
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-04 US disclosed
WO-2009070645-A1 INDOLES, DERIVATIVES, AND ANALOGS THEREOF AND USES THEREOF THE OHIO UNIVERSITY RESEARCH FOUNDATION (US) 2009-06-04 WO 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 (2 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 2378/4885MEN1 1042/4885
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor TUBB, TUBB1, TUBB6 NPC1 1555/4885RAB9A 2018/4885MEN1 1250/4885

“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.