SCHEMBL174373

SCHEMBL174373

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.33
BRD4 O60885 1/20 0.33
MAPT P10636 3/20 0.31
GAA P10253 1/20 0.31
PTGES O14684 1/20 0.31
HSD17B10 Q99714 2/20 0.31
MGLL Q99685 1/20 0.30
PKM P14618 1/20 0.30
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CRHR1 P34998 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDE10A Q9Y233 1/20 0.30
TSHR P16473 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
SCHEMBL174973 0.88 RAB9A (0.34) RAB9ABRD4MAPTGAAHSD17B10
SCHEMBL175095 0.88 RAB9A (0.33) RAB9ABRD4PTGESHSD17B10MGLL
SCHEMBL173488 0.79 PRKDC (0.35) BRD4PTGESHSD17B10MGLLPDE10A
SCHEMBL173431 0.79 CTSA (0.33)
SCHEMBL174146 0.78 MEN1 (0.33) BRD4PTGESHSD17B10CRHR1PDE10A
SCHEMBL162629 0.78 NR3C2 (0.36) PTGES
SCHEMBL176222 0.77 MEN1 (0.33) BRD4PTGESHSD17B10CRHR1PDE10A
SCHEMBL174422 0.76 MEN1 (0.37) BRD4MAPTPTGESPOLBALDH1A1
SCHEMBL173710 0.73 MEN1 (0.35) GAAPTGESALDH1A1SMN1; SMN2PDE10A
SCHEMBL174308 0.70 GRM5 (0.35) BRD4MAPTPDE10A

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 620/4885BRD4 3081/4885MAPT 3611/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 RAB9A 620/4885BRD4 3081/4885MAPT 3611/4885

“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.