SCHEMBL21705943

SCHEMBL21705943

CCCCCCc1cncc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP19A1 P11511 5/20 0.41
PTGS2 P35354 3/20 0.41
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL26169758 1.00 TSHR (0.53) TSHRHSD17B10L3MBTL1TDP1CYP19A1
SCHEMBL7220029 0.93 TSHR (0.44) TSHRHSD17B10L3MBTL1TDP1ALDH1A1
SCHEMBL7219748 0.86 PDCD1 (0.38) TSHRHSD17B10CYP19A1
SCHEMBL27563659 0.82 TDP1 (0.57) HSD17B10L3MBTL1TDP1PTGS2CYP3A4
SCHEMBL27733869 0.80 TDP1 (0.59) HSD17B10L3MBTL1TDP1PTGS2CYP3A4
Hydrochloric Acid SCHEMBL28015977 0.78 TDP1 (0.57) HSD17B10L3MBTL1TDP1PTGS2CYP3A4
SCHEMBL23026423 0.77 PDCD1 (0.35) TSHRHSD17B10L3MBTL1KDM4EALDH1A1
SCHEMBL197194 0.77 TDP1 (0.52) HSD17B10L3MBTL1TDP1PTGS2CYP3A4
SCHEMBL18728443 0.75 CYP11B1 (0.36) HSD17B10ALDH1A1HPGD
SCHEMBL19909258 0.75 TDP1 (0.50) HSD17B10L3MBTL1TDP1PTGS2CYP3A4

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 TSHR 1122/4885HSD17B10 1818/4885L3MBTL1 1319/4885
US-10807968-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 TSHR 1122/4885HSD17B10 1818/4885L3MBTL1 1319/4885

“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.