SCHEMBL174245

SCHEMBL174245

Cc1nn(C)c(-c2ccc(F)cc2F)c1Oc1ccc(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 5/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
NPBWR1 P48145 2/20 0.39
MCHR1 Q99705 2/20 0.39
CYP3A4 P08684 3/20 0.38
P2RX7 Q99572 3/20 0.38
HSD11B1 P28845 1/20 0.38
GRM5 P41594 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A4 P31645 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL174528 0.85 CRHR1 (0.42) NPBWR1MCHR1P2RX7HSD11B1SLC6A2
SCHEMBL174656 0.83 AR (0.46) PGRNR3C2P2RX7HSD11B1SLC6A2
SCHEMBL176300 0.83 AR (0.46) PGRNR3C2P2RX7HSD11B1SLC6A2
SCHEMBL14990280 0.82 NPBWR1 (0.42) SLC34A1NPBWR1MCHR1CYP3A4CYP1A2
SCHEMBL174849 0.80 SLC6A2 (0.42) NPBWR1MCHR1CYP3A4P2RX7HSD11B1
SCHEMBL17242974 0.78 CASP3 (0.35) NPBWR1MCHR1P2RX7SLC6A2SLC6A3
SCHEMBL17242886 0.73 NPC1 (0.38) NPBWR1MCHR1P2RX7HSD11B1SLC6A2
SCHEMBL3488435 0.72 PGR (0.45) SLC34A1PGRNR3C2GRM5
SCHEMBL171000 0.71 AR (0.45) SLC34A1PGRNR3C2CYP3A4SLC6A3
SCHEMBL173503 0.70 HSD11B1 (0.47) SLC34A1P2RX7HSD11B1

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 SLC34A1 2543/4885PGR 1490/4885NR3C2 1905/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 SLC34A1 2543/4885PGR 1490/4885NR3C2 1905/4885

“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.