SCHEMBL174973

SCHEMBL174973

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
BRD4 O60885 1/20 0.33
HSD17B10 Q99714 2/20 0.31
MGLL Q99685 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CRHR1 P34998 2/20 0.30
TSHR P16473 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CTSA P10619 1/20 0.30
FPR1 P21462 1/20 0.30
FPR2 P25090 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL173431 0.90 CTSA (0.33) CTSA
SCHEMBL176222 0.88 MEN1 (0.33) BRD4HSD17B10CRHR1CTSAFPR1
SCHEMBL174373 0.88 RAB9A (0.33) RAB9ABRD4HSD17B10MGLLPOLB
SCHEMBL175095 0.88 RAB9A (0.33) RAB9ABRD4HSD17B10MGLLPOLB
SCHEMBL173710 0.85 MEN1 (0.35) ALDH1A1SMN1; SMN2GAACTSAMEN1
SCHEMBL174378 0.81 NR3C2 (0.39) CTSA
SCHEMBL173488 0.80 PRKDC (0.35) BRD4HSD17B10MGLLTSHRFPR1
SCHEMBL174146 0.79 MEN1 (0.33) BRD4HSD17B10CRHR1FPR1FPR2
SCHEMBL174348 0.77 NR3C2 (0.38) CTSA
SCHEMBL174422 0.76 MEN1 (0.37) BRD4POLBALDH1A1CRHR1MAPT

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 3081/4885HSD17B10 1514/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 RAB9A 620/4885BRD4 3081/4885HSD17B10 1514/4885

“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.