SCHEMBL174422

SCHEMBL174422

COc1ccc(C(O)c2c(C)nn(C)c2-c2c(F)cccc2Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PDE10A Q9Y233 3/20 0.35
PDE2A O00408 2/20 0.35
PTGES O14684 1/20 0.35
POLB P06746 2/20 0.33
BACE1 P56817 1/20 0.33
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CRHR1 P34998 2/20 0.32
MAPT P10636 1/20 0.32
BRD4 O60885 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
SCHEMBL173710 0.90 MEN1 (0.35) MEN1KMT2APDE10APDE2APTGES
SCHEMBL14990048 0.88 NR3C2 (0.35) MEN1KMT2APDE10APDE2ALMNA
SCHEMBL14990183 0.88 HSD11B1 (0.36) MEN1KMT2APDE10APDE2APTGES
SCHEMBL174041 0.88 NR3C2 (0.35) MEN1KMT2APDE10APDE2ALMNA
SCHEMBL14990194 0.88 NR3C2 (0.35) MEN1KMT2APDE10APDE2ALMNA
SCHEMBL174146 0.87 MEN1 (0.33) MEN1KMT2APDE10APTGESLMNA
SCHEMBL176222 0.86 MEN1 (0.33) MEN1KMT2APDE10APTGESLMNA
SCHEMBL14989942 0.83 PDE10A (0.34) MEN1KMT2APDE10APDE2AALDH1A1
SCHEMBL14990298 0.83 NR3C2 (0.36) PDE10APDE2AMAPT
SCHEMBL173388 0.82 HSD11B1 (0.36) CRHR1MAPT

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 MEN1 1815/4885KMT2A 3405/4885PDE10A 1489/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 MEN1 1815/4885KMT2A 3405/4885PDE10A 1489/4885

“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.