SCHEMBL23911666

SCHEMBL23911666

Oc1nc(-c2ccccc2C(F)(F)F)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.46
DPP4 P27487 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CHUK O15111 1/20 0.44
TXNRD1 Q16881 1/20 0.44
NOX4 Q9NPH5 1/20 0.44
S1PR1 P21453 2/20 0.43
CYP1A2 P05177 5/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL23911668 0.81 CYP1A2 (0.44) AKR1B1DPP4DPP7S1PR1CYP1A2
SCHEMBL23911670 0.80 NOTUM (0.51) DPP4DPP7CHUKTXNRD1NOX4
SCHEMBL15495466 0.80 PDK2 (0.53) DPP4DPP7S1PR1CYP1A2CYP3A4
SCHEMBL30566770 0.76 AKR1B1 (0.48) AKR1B1DPP4DPP7CASP3SENP8
SCHEMBL6979805 0.76 DPP4 (0.57) DPP4DPP7S1PR1CYP1A2CYP3A4
SCHEMBL9675049 0.76 AKR1B1 (0.48) AKR1B1DPP4DPP7CASP3SENP8
SCHEMBL13728852 0.74 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19ALOX15TSHR
SCHEMBL9507873 0.74 SENP7 (0.52) CASP3SENP8SENP7SENP6CYP1A2
SCHEMBL102794 0.72 AKR1B1 (0.45) AKR1B1DPP4DPP7S1PR1CYP1A2
SCHEMBL8378862 0.70 NPC1 (0.50) CYP1A2CYP3A4CYP2C19TSHRALDH1A1

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-20210317112-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER AG (DE) 2021-10-14 US disclosed
US-20210317112-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER AG (DE) 2021-10-14 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-20210317112-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS AKR1B1 2175/4885DPP4 222/4885DPP7 339/4885

“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.