SCHEMBL1337003

SCHEMBL1337003

CC(=O)NNc1ccc(I)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.63
TSHR P16473 2/20 0.63
ALOX5 P09917 1/20 0.63
ALDH1A1 P00352 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
BRD4 O60885 1/20 0.43
NR1I2 O75469 1/20 0.43
MB P02144 1/20 0.43
CYP1A1 P04798 1/20 0.43
CA3 P07451 1/20 0.43
MAPT P10636 1/20 0.43
RARG P13631 1/20 0.43
ALOX5AP P20292 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL10942888 0.82 CYP3A4 (0.68) CYP3A4TSHRALOX5ALDH1A1CA1
SCHEMBL424604 0.80 CYP3A4 (0.65) CYP3A4TSHRALOX5ALDH1A1CA1
SCHEMBL8743016 0.80 KMT2A (0.68) CYP3A4TSHRALOX5ALDH1A1CA1
SCHEMBL14001690 0.78 CYP3A4 (0.63) CYP3A4TSHRALOX5ALDH1A1CA1
SCHEMBL8861401 0.78 TSHR (0.63) CYP3A4TSHRALOX5ALDH1A1CA1
SCHEMBL2384404 0.78 CYP3A4 (0.63) CYP3A4TSHRALOX5ALDH1A1MAPT
SCHEMBL425708 0.78 GAA (0.63) CYP3A4TSHRALOX5ALDH1A1CA1
SCHEMBL588131 0.77 ALOX5 (1.00) CYP3A4TSHRALOX5ALDH1A1KMT2A
SCHEMBL425872 0.77 ALOX5 (1.00) CYP3A4TSHRALOX5ALDH1A1KMT2A
SCHEMBL669782 0.77 SMN1; SMN2 (0.67) CYP3A4TSHRALDH1A1CA1CA2

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-8063061-B2 6-(2-amino-1,3-thiazol-4-yl)-3-(2,4-dichlorophenyl)-1-methyl-1,9-dihydro-2H-pyrido[2,3-b]indol-2-one; affinity for GABAA-receptor-associated omega modulatory sites SANOFI-AVENTIS (FR) 2011-11-22 US disclosed
EP-1940840-B1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-21 EP disclosed
US-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
EP-1940840-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP disclosed
WO-2007045758-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-04-26 WO disclosed
US-20040220188-A1 Alkylidene pyrazolidinedione derivatives LABORATOIRES SERONO SA (CH) 2004-11-04 US 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-20040220188-A1 Alkylidene pyrazolidinedione derivatives G6PC1, PPM1D, PTPRS CYP3A4 1471/4885TSHR 1160/4885ALOX5 1819/4885
US-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof CYP11B2, CYP11B1, CYP2D6 CYP3A4 8/4885TSHR 1472/4885ALOX5 448/4885

“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.