SCHEMBL113668

SCHEMBL113668

Cc1ccccc1-c1c(O)c2cn(C)nc2n(CC(F)F)c1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.38
BRD4 O60885 1/20 0.36
ALDH1A2 O94788 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALDH1A3 P47895 1/20 0.35
KCNA3 P22001 1/20 0.35
GRM4 Q14833 1/20 0.35
TACR1 P25103 2/20 0.33

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
SCHEMBL115298 0.87 METAP2 (0.35) CASRBRD4ALDH1A1KCNA3
SCHEMBL115176 0.86 KDM4E (0.42) CASRBRD4ALDH1A1TACR1
SCHEMBL115080 0.84 METAP2 (0.43) CASRBRD4TACR1
SCHEMBL114971 0.82 PDE10A (0.35) CASRBRD4ALDH1A2ALDH1A1ALDH1A3
SCHEMBL113670 0.82 CASR (0.38) CASRBRD4ALDH1A1GRM4TACR1
SCHEMBL115214 0.82 BRD4 (0.42) CASRBRD4ALDH1A1KCNA3GRM4
SCHEMBL115087 0.79 F7 (0.39) CASRBRD4ALDH1A2ALDH1A1ALDH1A3
SCHEMBL115021 0.77 CASR (0.33) CASRBRD4ALDH1A1KCNA3
SCHEMBL115145 0.77 CASR (0.33) CASRBRD4KCNA3GRM4
SCHEMBL115943 0.76 CASR (0.34) CASRBRD4KCNA3GRM4

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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES KHK, KCNA1, KCNA2 CASR 4298/4885BRD4 3524/4885ALDH1A2 772/4885

“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.