SCHEMBL12977992

SCHEMBL12977992

CSc1ccc(C(=O)N(C)c2cccnc2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.50
▸ MLYCD O95822 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GPBAR1 Q8TDU6 5/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GRM1 Q13255 1/20 0.40
▸ POLQ O75417 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ ABCC1 P33527 1/20 0.39
▸ HTT P42858 3/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ AR P10275 1/20 0.37

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
SCHEMBL12977999 0.85 HTT (0.54) TRPV1MLYCDKMT2AKDM4EALDH1A1
SCHEMBL12978265 0.81 GPBAR1 (0.61) TRPV1MLYCDKMT2AKDM4EGPBAR1
SCHEMBL12977961 0.79 TRPV1 (0.60) TRPV1MLYCDKMT2AKDM4EMEN1
SCHEMBL12978007 0.79 TRPV1 (0.50) TRPV1MLYCDKMT2AKDM4EGPBAR1
SCHEMBL13095850 0.77 TRPV1 (0.56) TRPV1MLYCDKMT2AKDM4EGRM1
SCHEMBL13095766 0.77 TRPV1 (0.56) TRPV1MLYCDKMT2AKDM4EGPBAR1
SCHEMBL789948 0.76 TRPV1 (0.53) TRPV1MLYCDKMT2AKDM4EALDH1A1
SCHEMBL6237453 0.74 KDM4E (0.68) TRPV1MLYCDKMT2AKDM4EALDH1A1
SCHEMBL12978303 0.74 TRPV1 (0.48) TRPV1MLYCDKMT2AKDM4EGPBAR1
SCHEMBL12977977 0.73 TRPV1 (0.66) TRPV1MLYCDKMT2AKDM4EMEN1

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 3 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
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 — — EP 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 TRPV1 2769/4885MLYCD 654/4885KMT2A 412/4885

“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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