SCHEMBL5424965

SCHEMBL5424965

COc1ccc(-c2c(C(=O)O)n(CCN3CCN(C)CC3)c3cc(OC)c(OC)cc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.50
EDNRB P24530 9/20 0.50

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
SCHEMBL4883674 0.91 ALDH1A1 (0.42) EDNRAEDNRB
SCHEMBL5186159 0.91 EDNRA (0.52) EDNRAEDNRB
Hydrochloric Acid SCHEMBL4883670 0.90 ALDH1A1 (0.41) EDNRAEDNRB
SCHEMBL4592011 0.86 EDNRB (0.52) EDNRAEDNRB
SCHEMBL4591054 0.86 EDNRA (0.52) EDNRAEDNRB
SCHEMBL4591109 0.83 ALDH1A1 (0.45) EDNRAEDNRB
SCHEMBL4592550 0.83 KMT2A (0.50) EDNRAEDNRB
Hydrochloric Acid SCHEMBL4591112 0.82 ESR1 (0.45)
SCHEMBL4591982 0.82 ALDH1A1 (0.49)
Hydrochloric Acid SCHEMBL4591984 0.81 ALDH1A1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action NIKEM RESEARCH S.R.L. (IT) 2007-10-25 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-20070248672-A1 Indole and Azaindole Derivatives with Antitumor Action IDO1, IDO2, INMT EDNRA 662/4885EDNRB 1151/4885

“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.