SCHEMBL981232

SCHEMBL981232

N#Cc1ccc(-c2cccc(N)c2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 16/20 0.65
CYP11B1 P15538 15/20 0.65
EGLN2 Q96KS0 2/20 0.48
MAOA P21397 1/20 0.47
TRPV4 Q9HBA0 1/20 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
SCHEMBL980699 0.86 CYP11B1 (0.49) CYP11B2CYP11B1MAOA
SCHEMBL7282150 0.84 CYP11B2 (0.66) CYP11B2CYP11B1EGLN2TRPV4
SCHEMBL18297999 0.83 CYP11B2 (0.67) CYP11B2CYP11B1TRPV4
SCHEMBL1514257 0.82 CYP11B1 (0.78) CYP11B2CYP11B1TRPV4
SCHEMBL30132416 0.82 CYP11B1 (0.78) CYP11B2CYP11B1TRPV4
SCHEMBL9612021 0.81 CYP11B2 (0.68) CYP11B2CYP11B1TRPV4
SCHEMBL13885712 0.79 AR (0.65) CYP11B2CYP11B1
SCHEMBL8265080 0.79 CYP11B1 (0.65) CYP11B2CYP11B1
SCHEMBL28073041 0.79 MAOA (0.47) CYP11B2CYP11B1MAOA
SCHEMBL1156401 0.79 TRPV4 (0.57) CYP11B2CYP11B1EGLN2TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 CYP11B2 4399/4885CYP11B1 4013/4885EGLN2 1847/4885

“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.