SCHEMBL175095

SCHEMBL175095

COc1ccc(C(O)c2c(Cl)nn(C)c2-c2c(F)cccc2F)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BRD4 O60885 1/20 0.33
P2RX7 Q99572 1/20 0.32
BACE1 P56817 1/20 0.31
PTGES O14684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MGLL Q99685 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL173488 0.92 PRKDC (0.35) MEN1KMT2ABRD4PTGESHSD17B10
SCHEMBL174146 0.91 MEN1 (0.33) MEN1KMT2ABRD4PTGESHSD17B10
SCHEMBL174973 0.88 RAB9A (0.34) RAB9AMEN1KMT2ABRD4HSD17B10
SCHEMBL174373 0.88 RAB9A (0.33) RAB9ABRD4PTGESHSD17B10MGLL
SCHEMBL176222 0.81 MEN1 (0.33) MEN1KMT2ABRD4PTGESHSD17B10
SCHEMBL12504939 0.80 RECQL (0.36) BRD4
SCHEMBL174422 0.80 MEN1 (0.37) MEN1KMT2ABRD4BACE1PTGES
SCHEMBL164934 0.79 NR3C2 (0.37) MEN1KMT2A
SCHEMBL173431 0.79 CTSA (0.33)
SCHEMBL173710 0.78 MEN1 (0.35) MEN1KMT2APTGESALDH1A1

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 RAB9A 620/4885MEN1 1815/4885KMT2A 3405/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 RAB9A 620/4885MEN1 1815/4885KMT2A 3405/4885

“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.