SCHEMBL12978260

SCHEMBL12978260

CCN(C(=O)c1ccc(N(C)C(C)=O)cc1)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.60
▸ TRPV1 Q8NER1 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
▸ HPGD P15428 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MLYCD O95822 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ GFER P55789 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ PDK1 Q15118 1/20 0.40

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
SCHEMBL12978258 0.85 TRPV1 (0.61) HTTTRPV1HPGDHDAC6KMT2A
SCHEMBL12978259 0.84 HTT (0.66) HTTTRPV1CYP3A4CYP2C9CYP2B6
SCHEMBL12978251 0.83 HTT (0.53) HTTTRPV1CYP3A4CYP2C9CYP2B6
SCHEMBL12978253 0.82 HTT (0.54) HTTTRPV1CYP3A4CYP2C9CYP2B6
SCHEMBL12978245 0.81 HTT (0.61) HTTTRPV1CYP3A4CYP2C9CYP2B6
SCHEMBL12977982 0.81 HTT (0.61) HTTTRPV1CYP3A4CYP2C9CYP2B6
SCHEMBL14539624 0.80 HTT (0.59) HTTTRPV1CYP3A4CYP2C9CYP2B6
SCHEMBL12977989 0.80 HTT (0.60) HTTTRPV1CYP3A4CYP2C9CYP2B6
SCHEMBL790234 0.79 HTT (0.67) HTTTRPV1CYP3A4CYP2C9CYP2B6
SCHEMBL3576501 0.79 NOTUM (0.51) HTTTRPV1CYP3A4CYP2C9CYP2C19

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 2101/4885TRPV1 2769/4885CYP3A4 87/4885

“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.

Send feedback