SCHEMBL19006936

SCHEMBL19006936

C/N=C\c1cc(C(C)C)cc(C(C)C)c1C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
FABP3 P05413 2/20 0.36
FABP4 P15090 2/20 0.36
KDM4E B2RXH2 1/20 0.36
FABP5 Q01469 1/20 0.35

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
SCHEMBL20805858 0.83 KDM4E (0.37) KDM4E
SCHEMBL3079552 0.75 GABRA1 (0.52) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL22538428 0.72 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL19734035 0.72 LMNA (0.48) KDM4E
SCHEMBL9064418 0.69 GABRA1 (0.46) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL19320484 0.67 TYR (0.49) KDM4E
SCHEMBL20285914 0.66 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL22130540 0.64 GABRA1 (0.41) GABRA1GABRB2KDM4E
SCHEMBL2830370 0.64 GABRA1 (0.50) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL17118300 0.63 FABP4 (0.48) GABRA1GABRB2FABP3FABP4KDM4E

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-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 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-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 GABRA1 3538/4885GABRB2 2596/4885FABP3 2095/4885

“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.