SCHEMBL26314901

SCHEMBL26314901

Cc1cnc2c(P)cccc2c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
PSMD14 O00487 2/20 0.62
COPS5 Q92905 2/20 0.62
CCR1 P32246 2/20 0.61
CCR5 P51681 2/20 0.61
CCR8 P51685 2/20 0.61
PARP1 P09874 2/20 0.54
CYP1A2 P05177 2/20 0.50
SLC40A1 Q9NP59 6/20 0.47
CYP2A6 P11509 1/20 0.44
NFKBIA P25963 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7376462 0.80 PSMD14 (0.67) KDM4EPSMD14COPS5CCR1CCR5
SCHEMBL2850764 0.78 PSMD14 (0.65) KDM4EPSMD14COPS5CCR1CCR5
SCHEMBL6422325 0.77 PSMD14 (0.62) KDM4EPSMD14COPS5CCR1CCR5
SCHEMBL5540860 0.77 PSMD14 (0.62) KDM4EPSMD14COPS5CCR1CCR5
SCHEMBL11973584 0.77 KDM4E (0.62) KDM4EPSMD14COPS5CCR1CCR5
SCHEMBL3718782 0.77 KDM4E (0.62) KDM4EPSMD14COPS5CCR1CCR5
SCHEMBL29800848 0.77 KDM4E (0.62) KDM4EPSMD14COPS5CCR1CCR5
SCHEMBL3067414 0.77 PSMD14 (1.00) KDM4EPSMD14COPS5CCR1CCR5
SCHEMBL26074213 0.77 KDM4E (0.62) KDM4EPSMD14COPS5CCR1CCR5
SCHEMBL1787225 0.77 KDM4E (1.00) KDM4EPSMD14COPS5CCR1CCR5

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-20230295108-A1 ARYLTETRAHYDROPYRIDINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-21 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-20230295108-A1 ARYLTETRAHYDROPYRIDINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF TRPA1, DDT, HPD KDM4E 773/4885PSMD14 2681/4885COPS5 1716/4885

“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.