SCHEMBL15093652

SCHEMBL15093652

CCN(C(=O)c1ccc(SCc2nc(OC)cc(OC)n2)nc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.47
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2B6 P20813 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CXCR2 P25025 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ OXTR P30559 4/20 0.36
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ADAMTS4 O75173 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ AVPR1A P37288 1/20 0.34

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
SCHEMBL791256 0.89 TRPV1 (0.46) HTTCXCR2ALDH1A1KDM4ETRPV1
SCHEMBL12978149 0.87 HTT (0.49) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL790954 0.81 HTT (0.51) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL790147 0.81 HTT (0.61) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL791734 0.79 HTT (0.51) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL791684 0.79 HTT (0.61) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL12978195 0.78 RAB9A (0.52) CXCR2ALDH1A1TRPV1GAATSHR
SCHEMBL12978153 0.78 HTT (0.49) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL12978190 0.77 HTT (0.49) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL791057 0.77 HTT (0.51) HTTCYP3A4CYP2C9CYP2B6CYP2C19

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-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 — — 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-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III CHRM1, CHRM2, GRIN2C HTT 1901/4885CYP3A4 642/4885CYP2C9 1710/4885

“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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