SCHEMBL12977989

SCHEMBL12977989

CCSc1ccc(C(=O)N(CC)c2cccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.60
▸ GAA P10253 2/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2B6 P20813 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.46
▸ HPGD P15428 3/20 0.46
▸ TSHR P16473 1/20 0.43
▸ ADORA2A P29274 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ MLYCD O95822 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL12977982 0.88 HTT (0.61) HTTGAACYP3A4CYP2C9CYP2B6
SCHEMBL12977973 0.86 TRPV1 (0.62) HTTGAARAB9ATRPV1HPGD
SCHEMBL12978259 0.84 HTT (0.66) HTTGAACYP3A4CYP2C9CYP2B6
SCHEMBL12978156 0.81 HTT (0.53) HTTGAACYP3A4CYP2C9CYP2B6
SCHEMBL12978245 0.81 HTT (0.61) HTTGAACYP3A4CYP2C9CYP2B6
SCHEMBL12978260 0.80 HTT (0.60) HTTGAARAB9ACYP3A4CYP2C9
SCHEMBL12978167 0.79 HTT (0.51) HTTGAACYP3A4CYP2C9CYP2B6
SCHEMBL790234 0.79 HTT (0.67) HTTGAACYP3A4CYP2C9CYP2B6
SCHEMBL13095774 0.78 HTT (0.65) HTTGAACYP3A4CYP2C9CYP2B6
SCHEMBL12978153 0.78 HTT (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 — — US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 — — 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR HTT 2101/4885GAA 2373/4885RAB9A 1806/4885

“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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