SCHEMBL18819764

SCHEMBL18819764

CCSc1nc2ccccc2nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ DHODH Q02127 2/20 0.34
▸ PKM P14618 1/20 0.33
▸ GSR P00390 2/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ GAA P10253 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31

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
SCHEMBL17832804 0.85 ALDH1A1 (0.34) ALDH1A1DHODHPKMGSROPRM1
SCHEMBL18819688 0.81 MEN1 (0.39) DHODHPKMGSROPRM1MEN1
SCHEMBL24286105 0.81 PTGS2 (0.34) ALDH1A1DHODHPKMNPC1RAB9A
SCHEMBL21925161 0.81 CYP2C9 (0.33) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL18819854 0.81 ALDH1A1 (0.33) ALDH1A1DHODHPKMNPC1RAB9A
SCHEMBL18819759 0.80 NPC1 (0.37) DHODHGSROPRM1NPC1RAB9A
SCHEMBL18131807 0.79 HSD17B10 (0.33) ALDH1A1PKMNPC1RAB9AMEN1
SCHEMBL19993432 0.79 ALDH1A1 (0.32) ALDH1A1PKMMAPTLMNA
SCHEMBL17967734 0.79 DDR1 (0.31) ALDH1A1
SCHEMBL17832751 0.79 ALDH1A1 (0.35) ALDH1A1PKMNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 — — US disclosed
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 — — US disclosed
US-20180305353-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-25 — — US disclosed
WO-2017072039-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-04 — — 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-20180305353-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, BCHE, ACHE ALDH1A1 468/4885DHODH 1011/4885PKM 2278/4885
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE ALDH1A1 468/4885DHODH 1011/4885PKM 2278/4885

“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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