SCHEMBL22557546

SCHEMBL22557546

O=[N+]([O-])c1cc(Cl)c(SC2CC2)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 2/20 0.40
GPR35 Q9HC97 4/20 0.38
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE7A Q13946 2/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
VCAM1 P19320 1/20 0.34
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL9525231 0.78 ALDH1A1 (0.45) ALDH1A1CYP3A4HPGDGPR35MAPK1
SCHEMBL30954088 0.78 ALDH1A1 (0.45) ALDH1A1CYP3A4HPGDGPR35MAPK1
SCHEMBL305109 0.74 ALDH1A1 (0.55) ALDH1A1CYP3A4HPGDGPR35MAPK1
SCHEMBL22557347 0.74 ALDH1A1 (0.41) ALDH1A1CYP3A4HPGDGPR35MAPK1
SCHEMBL11555308 0.73 ALDH1A1 (0.69) ALDH1A1CYP3A4HPGDGPR35MAPK1
SCHEMBL22065272 0.72 HPGD (0.48) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL22556988 0.72 ALDH1A1 (0.39) ALDH1A1CYP3A4HPGDMAPK1SMN1; SMN2
SCHEMBL4864870 0.70 MAPT (0.45) ALDH1A1HPGDMAPK1SMN1; SMN2L3MBTL1
SCHEMBL16703011 0.70 HPGD (0.37) ALDH1A1HPGDMAPK1TSHRPDE7A
SCHEMBL8767757 0.69 ALDH1A1 (0.63) ALDH1A1CYP3A4HPGDGPR35MAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384769-B2 Heteroaryl-substituted aminoalkyl azole compounds as pesticides ELANCO ANIMAL HEALTH GMBH (DE) 2025-08-12 US disclosed
CN-113939509-B Novel heteroaryl substituted aminoalkylazole compounds as pesticides 拜耳动物保健有限责任公司 2024-11-29 CN disclosed
US-20230046680-A1 NOVEL HETEROARYL-SUBSTITUTED AMINOALKYL AZOLE COMPOUNDS AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-02-16 US disclosed
US-20230046680-A1 NOVEL HETEROARYL-SUBSTITUTED AMINOALKYL AZOLE COMPOUNDS AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-02-16 US disclosed
EP-3956325-A1 NOVEL HETEROARYL-SUBSTITUTED AMINOALKYL AZOLE COMPOUNDS AS PESTICIDES Bayer Animal Health GmbH (DE) 2022-02-23 EP disclosed
CN-113939509-A Novel heteroaryl substituted aminoalkylazole compounds as pesticides 拜耳动物保健有限责任公司 2022-01-14 CN disclosed
WO-2020212235-A1 NOVEL HETEROARYL-SUBSTITUTED AMINOALKYL AZOLE COMPOUNDS AS PESTICIDES BAYER ANIMAL HEALTH GMBH (DE) 2020-10-22 WO disclosed
WO-2020212235-A1 NOVEL HETEROARYL-SUBSTITUTED AMINOALKYL AZOLE COMPOUNDS AS PESTICIDES BAYER ANIMAL HEALTH GMBH (DE) 2020-10-22 WO 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-20230046680-A1 NOVEL HETEROARYL-SUBSTITUTED AMINOALKYL AZOLE COMPOUNDS AS PESTICIDES DDT, CRY1, CYP4F3 ALDH1A1 3433/4885CYP3A4 92/4885HPGD 4628/4885
US-12384769-B2 Heteroaryl-substituted aminoalkyl azole compounds as pesticides DDT, CRY1, AAAS ALDH1A1 3552/4885CYP3A4 98/4885HPGD 4643/4885

“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.