SCHEMBL9525231

SCHEMBL9525231

CSc1cc(O)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
GPR35 Q9HC97 5/20 0.42
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCR2 P41597 1/20 0.39
PDE7A Q13946 2/20 0.38
SLC6A4 P31645 1/20 0.38
VCAM1 P19320 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL30954088 1.00 ALDH1A1 (0.45) ALDH1A1CYP3A4GPR35MAPK1SMN1; SMN2
SCHEMBL8944473 0.86 ALDH1A1 (0.45) ALDH1A1CYP3A4GPR35MAPK1SMN1; SMN2
SCHEMBL22557347 0.82 ALDH1A1 (0.41) ALDH1A1CYP3A4GPR35MAPK1SMN1; SMN2
SCHEMBL6949538 0.81 MAPT (0.50) ALDH1A1CYP3A4TSHRL3MBTL1ALOX15
SCHEMBL305109 0.79 ALDH1A1 (0.55) ALDH1A1CYP3A4GPR35MAPK1SMN1; SMN2
SCHEMBL10740278 0.79 CA12 (0.44) ALDH1A1SLC6A4VCAM1CA12CA9
SCHEMBL6370768 0.78 PDE7A (0.53) ALDH1A1CYP3A4GPR35MAPK1TSHR
SCHEMBL22557546 0.78 ALDH1A1 (0.41) ALDH1A1CYP3A4GPR35MAPK1SMN1; SMN2
SCHEMBL11555308 0.77 ALDH1A1 (0.69) ALDH1A1CYP3A4GPR35MAPK1SMN1; SMN2
SCHEMBL23133330 0.77 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPK1HPGDL3MBTL1

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 9 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
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
EP-0331144-B1 3-SUBSTITUTED PARA-AMINO PHENOLS, PROCESS FOR THEIR PREPARATION, THEIR USE IN DYEING KERATENIC FIBRES AND INTERMEDIATES USED IN THE PREPARATION PROCESS L'OREAL (FR) 1993-06-09 EP disclosed
EP-0331144-A2 3-Substituted para-amino phenols, process for their preparation, their use in dyeing keratenic fibres and intermediates used in the preparation process L'OREAL (FR) 1989-09-06 EP 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 92/4885GPR35 815/4885
US-12384769-B2 Heteroaryl-substituted aminoalkyl azole compounds as pesticides DDT, CRY1, AAAS ALDH1A1 3552/4885CYP3A4 98/4885GPR35 767/4885

“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.