SCHEMBL21706084

SCHEMBL21706084

COc1ccc(C(C)S)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CHRNA7 P36544 1/20 0.40
CYP2A6 P11509 2/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HRH1 P35367 1/20 0.39
OXTR P30559 1/20 0.38
OGA O60502 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 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
SCHEMBL2609318 0.83 OXTR (0.46) NNMTKMT2AMEN1CHRNA7CYP2A6
SCHEMBL19440237 0.82 ALDH1A1 (0.46) CHRNA7ALDH1A1
SCHEMBL23913878 0.82 CHRNA7 (0.44) NNMTKMT2AMEN1CHRNA7CYP2A6
SCHEMBL1515194 0.80 KMT2A (0.42) NNMTKMT2AMEN1CHRNA7CYP2A6
SCHEMBL17000187 0.80 KMT2A (0.43) NNMTKMT2AMEN1CHRNA7CYP2A6
SCHEMBL29514672 0.80 NNMT (0.46) NNMTKMT2AMEN1CHRNA7CYP2A6
SCHEMBL16510230 0.80 NNMT (0.42) NNMTKMT2AMEN1CHRNA7CYP2A6
SCHEMBL14480182 0.80 NNMT (0.46) NNMTKMT2AMEN1CHRNA7CYP2A6
SCHEMBL16510139 0.80 NNMT (0.46) NNMTKMT2AMEN1CHRNA7CYP2A6
SCHEMBL1581887 0.80 NNMT (0.46) NNMTKMT2AMEN1CHRNA7CYP2A6

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-10807968-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-20 US disclosed
US-20200048221-A1 SUBSTITUTED 2-(HET)ARYLIMIDAZOLYLCARBOXYAMIDES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 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-20200048221-A1 SUBSTITUTED 2-(HET)ARYLIMIDAZOLYLCARBOXYAMIDES AS PESTICIDES DDT, CYP4X1, CYP4Z1 NNMT 1838/4885KMT2A 356/4885MEN1 3925/4885
US-10807968-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 NNMT 1838/4885KMT2A 356/4885MEN1 3925/4885

“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.