SCHEMBL174784

SCHEMBL174784

COc1cc(-c2c(F)cccc2F)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.40
SCN9A Q15858 4/20 0.35
MAP4K1 Q92918 3/20 0.35
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
RAB9A P51151 1/20 0.33
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
SYK P43405 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL175211 0.77 PDE4B (0.40) F2RL3NPC1RAB9ASTIM1ORAI1
SCHEMBL24425236 0.73 NLRP3 (0.44) NPC1RAB9ASMN1; SMN2
SCHEMBL174226 0.72 AR (0.38) F2RL3PDE4BPDE4D
SCHEMBL15862756 0.71 KMT2A (0.43)
SCHEMBL28972344 0.69 CCR1 (0.36) SCN9ACYP1A2
SCHEMBL24409354 0.69 NR1H4 (0.42) SMN1; SMN2
SCHEMBL15862417 0.66 NPY5R (0.49) NPC1RAB9ASTIM1ORAI1PDE4D
SCHEMBL24409202 0.66 NR1H4 (0.56) SMN1; SMN2
SCHEMBL28593290 0.66 COMT (0.44) SCN9ANPC1CYP1A2RAB9APDE4B
SCHEMBL24408958 0.65 LMNA (0.48) NPC1RAB9ASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9131693-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-09-15 US disclosed
EP-2611297-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-06-17 EP disclosed
US-20140221448-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 US disclosed
US-8754115-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-17 US disclosed
EP-2611297-A1 FUNGICIDAL PYRAZOLES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
US-20130143940-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
WO-2012030922-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 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-20140221448-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 F2RL3 1431/4885SCN9A 1134/4885MAP4K1 2676/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 F2RL3 1431/4885SCN9A 1134/4885MAP4K1 2676/4885

“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.