SCHEMBL13637016

SCHEMBL13637016

COc1ccc2[nH]c3cc(C#N)c(=O)[nH]c3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 6/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 1/20 0.53
GFER P55789 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.49
DYRK1A Q13627 5/20 0.47
CLK1 P49759 3/20 0.47
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 2/20 0.47
CLK2 P49760 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
CLK3 P49761 1/20 0.47
STING1 Q86WV6 1/20 0.47
HPGD P15428 4/20 0.47
GAA P10253 3/20 0.46

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
SCHEMBL7499153 0.77 IDH1 (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4199112 0.77 DYRK1A (0.48) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL13171525 0.75 L3MBTL1 (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL16695793 0.74 IDH1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL12285521 0.72 ABCG2 (0.83) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29391519 0.72 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2597652 0.72 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL13377736 0.71 ABCG2 (0.61) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5327318 0.70 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL14668902 0.70 ABCG2 (0.78) ALDH1A1KDM4EMAPTMEN1KMT2A

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-7622581-B2 6,7,8,9-substituted 1-phenyl-1,5-dihydro-pyrido[3,2-b]indol-2-ones useful as anti-infective pharmaceutical agents TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-11-24 US disclosed
US-20070167434-A1 6,7,8,9-Substituted 1-phenyl-1,5-dihydro-pyrido[3,2-b]indol-2-ones useful as anti-infective pharmaceutical agents TIBOTEC BVBA (BE) 2007-07-19 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-20070167434-A1 6,7,8,9-Substituted 1-phenyl-1,5-dihydro-pyrido[3,2-b]indol-2-ones useful as anti-infective pharmaceutical agents HRH4, CBR1, HRH2 ALDH1A1 1535/4885KDM4E 3958/4885MAPT 4876/4885

“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.