SCHEMBL31501062

SCHEMBL31501062

CC[S+]([O-])c1cc(C(F)(F)F)cnc1-c1nc2cc(Cl)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ CRHR1 P34998 3/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ GRM2 Q14416 2/20 0.32
▸ AGPAT2 O15120 1/20 0.30

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
SCHEMBL20635346 0.89 POLB (0.32) POLB
SCHEMBL24369944 0.89 POLB (0.32) POLB
SCHEMBL20628411 0.88 POLB (0.32) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL14678192 0.85 AGPAT2 (0.36) MEN1KMT2APOLBGRM2AGPAT2
SCHEMBL20847510 0.85 POLB (0.32) POLB
SCHEMBL21985371 0.85 POLB (0.37) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL15868314 0.84 ACSS2 (0.36) NPC1RAB9AALDH1A1POLBDRD2
SCHEMBL20634441 0.84 POLB (0.30) POLB
SCHEMBL20635902 0.84 POLB (0.32) POLB
SCHEMBL20847446 0.84 POLB (0.33) POLBCRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115599-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2025-04-10 — — 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 (1 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-20250115599-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS CYP8B1, CYP4B1, CYP1B1 NPC1 3008/4885RAB9A 643/4885MEN1 2478/4885

“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.

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