SCHEMBL18498705

SCHEMBL18498705

CCSc1ccc(C(=O)OC)nc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ TSHR P16473 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ SLC6A15 Q9H2J7 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HPGD P15428 2/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SDHB P21912 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CASP1 P29466 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL21796207 0.93 SLC6A15 (0.32) POLBKDM4EALDH1A1TSHRHSD17B10
SCHEMBL29774753 0.93 SLC6A15 (0.32) POLBKDM4EALDH1A1TSHRHSD17B10
SCHEMBL19877212 0.84 MAPT (0.37) KDM4EALDH1A1TSHRHSD17B10SLC6A15
SCHEMBL18506138 0.84 POLB (0.51) POLBMAPTMRGPRX4LMNAL3MBTL1
SCHEMBL18498690 0.84 NOTUM (0.40) KDM4EALDH1A1SLC6A15MAPTHPGD
SCHEMBL31141489 0.84 NOTUM (0.40) KDM4EALDH1A1SLC6A15MAPTHPGD
SCHEMBL18506249 0.83 DDR1 (0.35) KDM4EALDH1A1HSD17B10SLC6A15MAPT
SCHEMBL28359602 0.82 ACVR1 (0.31) POLBALDH1A1MAPTLMNA
SCHEMBL29720572 0.82 ACVR1 (0.31) POLBALDH1A1MAPTLMNA
SCHEMBL21930788 0.81 ALDH1A1 (0.31) ALDH1A1

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
EP-3896066-A2 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2021-10-20 — — EP disclosed
EP-3896065-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2021-10-20 — — EP disclosed
EP-3331870-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-06-16 — — EP disclosed
US-10986840-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-04-27 — — US disclosed
US-10667517-B2 2-(Het)aryl-substituted fused heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-06-02 — — US disclosed
US-20200029567-A1 2-(Het)aryl-substituted fused heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 — — US disclosed
US-20180271099-A1 2-(Het)aryl-substituted fused heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-27 — — US disclosed
EP-3331870-A2 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2018-06-13 — — EP disclosed
WO-2017025419-A2 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-16 — — 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 (4 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-10667517-B2 2-(Het)aryl-substituted fused heterocycle derivatives as pesticides CYP1A1, CYP8B1, CYP1B1 POLB 4837/4885KDM4E 2736/4885ALDH1A1 268/4885
US-20200029567-A1 2-(Het)aryl-substituted fused heterocycle derivatives as pesticides CYP1A1, CYP8B1, CYP1B1 POLB 4837/4885KDM4E 2736/4885ALDH1A1 268/4885
US-10986840-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides CYP1A1, CYP8B1, CYP1B1 POLB 4837/4885KDM4E 2736/4885ALDH1A1 268/4885
US-20180271099-A1 2-(Het)aryl-substituted fused heterocycle derivatives as pesticides CYP1A1, CYP8B1, CYP1B1 POLB 4837/4885KDM4E 2736/4885ALDH1A1 268/4885

“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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