SCHEMBL13732956

SCHEMBL13732956

Cc1c(C(=O)Cl)cnn1C(C(F)(F)F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ ACHE P22303 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
SCHEMBL22206926 0.77 PTGS2 (0.33) ALDH1A1PTGS2MAPK1
SCHEMBL29284672 0.72 PTGS2 (0.30) PTGS2MAPK1
SCHEMBL13732345 0.71 KMT2A (0.38) SPR
SCHEMBL12447413 0.70 MAPK1 (0.37) ALDH1A1SMN1; SMN2PTGS2MAPK1
SCHEMBL3050197 0.70 RAB9A (0.49) ALDH1A1LMNATP53MAPTHTT
SCHEMBL17995120 0.69 TRPV4 (0.36) ALDH1A1LMNATP53MAPTSMN1; SMN2
SCHEMBL6052216 0.67 CCR1 (0.51) ALDH1A1MAPTSMN1; SMN2PTGS2MAPK1
SCHEMBL32683713 0.66 KDM4E (0.42) SPRALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL6156185 0.66 LMNA (0.37) ALDH1A1LMNASMN1; SMN2PTGS2MAPK1
SCHEMBL939312 0.65 MAPT (0.41) ALDH1A1MAPTSMN1; SMN2

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
EP-2699563-B3 NOVEL PESTICIDAL PYRAZOLE COMPOUNDS BASF SE (DE) 2024-06-12 — — EP disclosed
US-9439427-B2 Pesticidal pyrazole compounds BASF SE (DE) 2016-09-13 — — US disclosed
EP-2699563-B1 NOVEL PESTICIDAL PYRAZOLE COMPOUNDS BASF SE (DE) 2016-04-06 — — EP disclosed
US-20160050927-A1 Novel pesticidal pyrazole compounds BASF SE (DE) 2016-02-25 — — US disclosed
US-9198422-B2 Pesticidal pyrazole compounds BASF SE (DE) 2015-12-01 — — US disclosed
EP-2699563-A1 NOVEL PESTICIDAL PYRAZOLE COMPOUNDS BASF SE (DE) 2014-02-26 — — EP disclosed
US-20140045690-A1 Novel Pesticidal Pyrazole Compounds BASF SE (DE) 2014-02-13 — — US disclosed
WO-2012143317-A1 NOVEL PESTICIDAL PYRAZOLE COMPOUNDS BASF SE (DE) 2012-10-26 — — 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-20160050927-A1 Novel pesticidal pyrazole compounds CYP51A1, PKM, NOTUM SPR 1548/4885ALDH1A1 1402/4885LMNA 4379/4885
US-20140045690-A1 Novel Pesticidal Pyrazole Compounds CYP51A1, PKM, NOTUM SPR 1548/4885ALDH1A1 1402/4885LMNA 4379/4885

“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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