SCHEMBL21066149

SCHEMBL21066149

CC(C)C1CC(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)=NO1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
POLB P06746 2/20 0.35
APAF1 O14727 1/20 0.35
GRK2 P25098 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MIF P14174 4/20 0.34
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL21066131 0.88 HTT (0.49) HTTPOLBAPAF1GRK2APOBEC3G
SCHEMBL21066152 0.80 POLB (0.53) HTTPOLBAPAF1GRK2APOBEC3G
SCHEMBL21066093 0.79 MEN1 (0.49) POLBMIFNPC1HPGDRAB9A
SCHEMBL21066090 0.79 MAOB (0.48) HTTPOLBAPAF1GRK2APOBEC3G
SCHEMBL21066150 0.78 HTT (0.45) HTTMIFNPC1RAB9A
SCHEMBL21066127 0.77 NPC1 (0.49) HTTNPC1HPGDRAB9A
SCHEMBL21066088 0.77 CA1 (0.46)
SCHEMBL21066091 0.75 MIF (0.36) POLBAPAF1GRK2APOBEC3GMIF
SCHEMBL21066132 0.75 POLB (0.56) POLBMIFNPC1HPGDRAB9A
SCHEMBL22839966 0.74 ALDH1A1 (0.45) POLBAPAF1GRK2APOBEC3GMIF

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
EP-3497101-B1 SUBSTITUTED 2-HETEROCYCLYL IMIDAZOLYL-CARBOXAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2020-12-30 EP disclosed
US-10660333-B2 Substituted 2-heterocyclylimidazolylcarboxamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-05-26 US disclosed
US-20190166837-A1 SUBSTITUTED 2-HETEROCYCLYLIMIDAZOLYLCARBOXAMIDES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-06-06 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 (2 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-20190166837-A1 SUBSTITUTED 2-HETEROCYCLYLIMIDAZOLYLCARBOXAMIDES AS PESTICIDES DDT, PTMS, TSNAX HTT 602/4885POLB 4219/4885APAF1 1915/4885
US-10660333-B2 Substituted 2-heterocyclylimidazolylcarboxamides as pesticides DDT, PTMS, TSNAX HTT 602/4885POLB 4219/4885APAF1 1915/4885

“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.