SCHEMBL174826

SCHEMBL174826

Cc1nn(C)c(-c2c(Cl)cccc2Cl)c1C(O)c1ccc(F)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.33
GPR139 Q6DWJ6 1/20 0.32
ATM Q13315 1/20 0.32
HSD11B1 P28845 1/20 0.32
P2RX7 Q99572 1/20 0.32
MAPT P10636 1/20 0.32
CRHR1 P34998 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GRM2 Q14416 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NR3C2 P08235 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
SCHEMBL173388 0.90 HSD11B1 (0.36) ARGPR139ATMHSD11B1P2RX7
SCHEMBL174364 0.89 MAPT (0.35) ARATMHSD11B1P2RX7MAPT
SCHEMBL174041 0.85 NR3C2 (0.35) ARGPR139ATMHSD11B1P2RX7
SCHEMBL14990048 0.85 NR3C2 (0.35) ARGPR139ATMHSD11B1P2RX7
SCHEMBL14990194 0.85 NR3C2 (0.35) ARGPR139ATMHSD11B1P2RX7
SCHEMBL14989942 0.85 PDE10A (0.34) ARATMHSD11B1P2RX7MAPT
SCHEMBL173912 0.84 SLC34A1 (0.31) GPR139ATMHSD11B1CYP1A2CYP3A4
SCHEMBL14990298 0.82 NR3C2 (0.36) ARGPR139HSD11B1P2RX7MAPT
SCHEMBL14990200 0.80 HSD11B1 (0.39) ARGPR139ATMHSD11B1P2RX7
SCHEMBL174605 0.79 P2RX7 (0.35) ARHSD11B1P2RX7CYP1A2CYP3A4

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 12 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
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 AR 3667/4885GPR139 3780/4885ATM 2940/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 AR 3667/4885GPR139 3780/4885ATM 2940/4885

“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.