SCHEMBL13062479

SCHEMBL13062479

COC(=O)CC(=O)NC(=S)Nc1cccc(CF)c1F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 4/20 0.44
▸ LMNA P02545 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL3410830 0.81 ALDH1A1 (0.56) NPSR1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL12145458 0.73 KDM4E (0.48) SMN1; SMN2ALDH1A1MAPTHPGDLMNA
SCHEMBL13062478 0.71 ALDH1A1 (0.31) SMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL31630179 0.67 EPHX1 (0.57) NPSR1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL7039814 0.66 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTHPGDLMNA
SCHEMBL7035637 0.63 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTHPGDLMNA
SCHEMBL7040734 0.63 CFD (0.50) NPSR1ALDH1A1MAPTHPGDLMNA
SCHEMBL13014504 0.63 GAA (0.41) NPSR1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL25001923 0.62 ALDH1A1 (0.59) NPSR1SMN1; SMN2ALDH1A1MAPTHPGD
Thiophanate Methyl SCHEMBL29422247 0.62 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1MAPTHPGDLMNA

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-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — 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-20100324053-A1 TRISUBSTITUTED 1,2,4 TRIAZOLES CHRNA1, CHRNA5, CHRNE NPSR1 172/4885SMN1; SMN2 3274/4885ALDH1A1 1718/4885

“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.

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