SCHEMBL16170247

SCHEMBL16170247

Cc1ccc2c(c1)C(=O)C(C)(C)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 1/20 0.53
ROS1 P08922 1/20 0.47
CDK5 Q00535 1/20 0.47
ACVR1 Q04771 1/20 0.47
LRRK2 Q5S007 1/20 0.47
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
EPHX2 P34913 1/20 0.43
GAA P10253 2/20 0.41
CSNK1G1 Q9HCP0 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL31394896 0.79 TGM2 (0.50) ALDH1A1MAPTKDM4ELRRK2CA1
SCHEMBL11534209 0.79 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL16170250 0.79 KDM4E (0.47) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL16170245 0.78 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL16163180 0.77 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EHPGDLRRK2
SCHEMBL16170237 0.77 POLB (0.45) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL13469502 0.74 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10ACVR1
SCHEMBL7170898 0.73 CSNK1G1 (0.45) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL16170243 0.73 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL29657257 0.69 ROS1 (0.67) ALDH1A1MAPTROS1CDK5ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145364-B2 Synthesis of psuedo indoxyl derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-09-29 US disclosed
US-20140309434-A1 SYNTHESIS OF PSUEDO INDOXYL DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-10-16 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 (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-20140309434-A1 SYNTHESIS OF PSUEDO INDOXYL DERIVATIVES IPO4, IPO11, IDO2 ALDH1A1 2135/4885MAPT 369/4885KDM4E 1188/4885

“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.