SCHEMBL423127

SCHEMBL423127

O=C(c1cccc(-c2cc3ccccc3[nH]2)c1)c1cc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.61
MAP2K1 Q02750 1/20 0.57
CLK1 P49759 1/20 0.56
DYRK1A Q13627 1/20 0.56
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
EGFR P00533 2/20 0.52
PIK3CA P42336 2/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL13814194 0.90 FLT3 (0.68) FLT3MAP2K1CLK1DYRK1ANPC1
SCHEMBL10227650 0.88 FLT3 (0.65) FLT3MAP2K1CLK1DYRK1ANPC1
SCHEMBL426115 0.88 NPC1 (0.62) FLT3NPC1RAB9AEGFRPIK3CA
SCHEMBL10227643 0.84 FLT3 (0.59) FLT3MAP2K1CLK1DYRK1ANPC1
SCHEMBL13814181 0.84 CASP3 (0.54) FLT3CLK1DYRK1ANPC1RAB9A
SCHEMBL22887391 0.84 CASP3 (0.68) NPC1RAB9AKDM4EMAPTDAO
SCHEMBL10226225 0.83 NPC1 (0.54) FLT3MAP2K1NPC1RAB9AEGFR
SCHEMBL13814197 0.83 NPC1 (0.54) FLT3MAP2K1NPC1RAB9AEGFR
SCHEMBL2729915 0.81 FLT3 (0.79) FLT3MAP2K1CLK1DYRK1ANPC1
SCHEMBL10226047 0.81 GPR84 (0.55) 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 FLT3 3889/4885MAP2K1 1533/4885CLK1 2230/4885
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor TUBB, TUBB1, TUBB6 FLT3 3133/4885MAP2K1 2469/4885CLK1 2821/4885

“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.