SCHEMBL174404

SCHEMBL174404

Cc1nn(C)c(-c2ccc(Cl)cc2Cl)c1C(O)c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.38
HSD11B1 P28845 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR1 P21554 1/20 0.37
SLC34A1 Q06495 1/20 0.35

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
SCHEMBL14990292 0.94 HSD11B1 (0.39) HSD11B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14990301 0.88 HSD11B1 (0.40) CRHR1HSD11B1CYP1A2CYP3A4CYP2C9
SCHEMBL14990309 0.87 GRM5 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19SLC34A1
SCHEMBL174736 0.84 HSD11B1 (0.40) HSD11B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL162293 0.82 HSD11B1 (0.36) HSD11B1CYP3A4CNR1SLC34A1
SCHEMBL174364 0.82 MAPT (0.35) CRHR1HSD11B1CYP1A2CYP3A4CYP2C9
SCHEMBL14989942 0.80 PDE10A (0.34) HSD11B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14990189 0.79 HSD11B1 (0.40) HSD11B1SLC34A1
SCHEMBL14989823 0.79 HSD11B1 (0.40) HSD11B1SLC34A1
SCHEMBL174605 0.79 P2RX7 (0.35) HSD11B1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611297-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-06-17 EP claimed
US-8754115-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-17 US claimed
EP-2611297-A1 FUNGICIDAL PYRAZOLES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP claimed
US-20130143940-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US claimed
WO-2012030922-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO claimed
CN-105130900-B Antifungal pyrazoles 纳幕尔杜邦公司 2018-05-22 CN disclosed
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 CRHR1 3769/4885HSD11B1 886/4885CYP1A2 8/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 CRHR1 3769/4885HSD11B1 886/4885CYP1A2 8/4885

“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.