SCHEMBL13062478

SCHEMBL13062478

COC(=O)CC(=O)N/C(=N\c1cccc(CF)c1F)SC

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL8032116 0.84 CTSS (0.34) ALDH1A1SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL13062479 0.71 NPSR1 (0.47) ALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL14919735 0.62 GAA (0.33) SMN1; SMN2
SCHEMBL14919734 0.62 GAA (0.33) SMN1; SMN2
SCHEMBL22495730 0.61 S100B (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL17170062 0.59 CYP3A4 (0.47) TSHR
SCHEMBL10527322 0.59 SIGMAR1 (0.64) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL10527317 0.59 SIGMAR1 (0.64) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL506923 0.58 SMN1; SMN2 (0.46) ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL17192830 0.57 KMT2A (0.42) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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 ALDH1A1 1718/4885KDM4E 1399/4885HPGD 1690/4885

“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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