SCHEMBL15939786

SCHEMBL15939786

NC(=O)c1nc(C2CCN(C(=O)Cn3nc(C(F)F)cc3C(F)F)CC2)cs1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
HPGD P15428 3/20 0.37
POLB P06746 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 3/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
GRIN2B Q13224 2/20 0.31
F2 P00734 1/20 0.31
GRIN1 Q05586 1/20 0.31

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
SCHEMBL1119900 0.78 ALDH1A1 (0.36) ALDH1A1HPGDPOLBBLMHSD17B10
SCHEMBL14880226 0.77 GAA (0.49) HPGDPOLBCYP1A2CYP3A4CYP2D6
SCHEMBL29677 0.77 CYP1A2 (0.34) ALDH1A1HPGDPOLBBLMHSD17B10
SCHEMBL13228438 0.77 ALDH1A1 (0.35) ALDH1A1HPGDPOLBBLMHSD17B10
SCHEMBL1119901 0.77 ALDH1A1 (0.35) ALDH1A1HPGDPOLBBLMHSD17B10
SCHEMBL29908189 0.77 DRD4 (0.41) ALDH1A1HPGDGAA
SCHEMBL440227 0.77 ALDH1A1 (0.40) ALDH1A1HPGDPOLBBLMHSD17B10
SCHEMBL18978979 0.75 FAAH (0.36) ALDH1A1HPGDPOLBBLMHSD17B10
SCHEMBL18978790 0.75 ALDH1A1 (0.33) ALDH1A1HPGDPOLBBLMHSD17B10
SCHEMBL15939573 0.75 TMIGD3 (0.37) ALDH1A1HPGDKMT2AGAAMEN1

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-20140228372-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2014-08-14 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-20140228372-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES ARG1, ARG2, NOX3 ALDH1A1 1122/4885HPGD 874/4885POLB 1741/4885

“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.