SCHEMBL2790501

SCHEMBL2790501

c1ccc(C2Cc3ccccc3-c3cncn32)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 16/20 0.48
TDO2 P48775 10/20 0.48
CYP3A4 P08684 1/20 0.42
CYP11B2 P19099 3/20 0.40
NOS3 P29474 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
SCHEMBL20602751 0.70 IDO1 (0.62) IDO1TDO2CYP3A4
SCHEMBL20621023 0.70 IDO1 (0.62) IDO1TDO2CYP3A4
SCHEMBL20621024 0.70 IDO1 (0.62) IDO1TDO2CYP3A4
SCHEMBL14769012 0.70 CYP19A1 (0.43) IDO1TDO2CYP3A4CYP11B2
SCHEMBL2795357 0.67 IDO1 (0.40) IDO1TDO2CYP3A4
SCHEMBL19044189 0.67 IDO1 (0.59) IDO1TDO2CYP3A4
SCHEMBL29649290 0.67 IDO1 (0.59) IDO1TDO2CYP3A4
SCHEMBL2775088 0.66 IDO1 (0.69) IDO1TDO2CYP3A4CYP11B2NOS3
SCHEMBL14769100 0.66 CYP19A1 (0.73) CYP11B2
SCHEMBL18810584 0.66 IDO1 (0.51) IDO1TDO2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435433-B1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES AS FSH RECEPTOR AGONISTS FOR THE TREATMENT OF FERTILITY DISORDERS MERCK SHARP & DOHME (NL) 2013-08-28 EP disclosed
US-8071587-B2 (Dihydro)imidazoiso[5,1-A]quinolines N. V. ORGANON (NL) 2011-12-06 US disclosed
US-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES N.V. ORGANON (NL) 2010-12-23 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-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES NQO2, IPO5, SCN5A IDO1 214/4885TDO2 2158/4885CYP3A4 698/4885

“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.