SCHEMBL174528

SCHEMBL174528

COc1ccc(-c2c(Oc3ccc(F)cc3Cl)c(C)nn2C)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.42
IGF1R P08069 2/20 0.38
PDE2A O00408 6/20 0.37
PDE10A Q9Y233 3/20 0.37
P2RX7 Q99572 1/20 0.37
HSD11B1 P28845 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
PDE7A Q13946 1/20 0.36
PDE6D O43924 1/20 0.36
PDE6A P16499 1/20 0.36
PDE6G P18545 1/20 0.36
PDE6B P35913 1/20 0.36
PDE6C P51160 1/20 0.36
PDE6H Q13956 1/20 0.36
AR P10275 1/20 0.36
NPBWR1 P48145 1/20 0.36

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
SCHEMBL14990280 0.93 NPBWR1 (0.42) CRHR1IGF1RPDE2APDE10ANPBWR1
SCHEMBL174245 0.85 SLC34A1 (0.41) P2RX7HSD11B1SLC6A2SLC6A4SLC6A3
SCHEMBL176300 0.83 AR (0.46) IGF1RPDE2APDE10AP2RX7HSD11B1
SCHEMBL174656 0.83 AR (0.46) IGF1RPDE2APDE10AP2RX7HSD11B1
SCHEMBL174849 0.75 SLC6A2 (0.42) P2RX7HSD11B1SLC6A2SLC6A4SLC6A3
SCHEMBL17242974 0.73 CASP3 (0.35) IGF1RP2RX7SLC6A2SLC6A4SLC6A3
SCHEMBL173503 0.71 HSD11B1 (0.47) CRHR1IGF1RPDE2APDE10AP2RX7
SCHEMBL175155 0.69 ALDH1A1 (0.44) IGF1RP2RX7HSD11B1SCN10A
SCHEMBL17242886 0.69 NPC1 (0.38) P2RX7HSD11B1SLC6A2SLC6A4SLC6A3
SCHEMBL20680749 0.69 IGF1R (0.39) IGF1RPDE2APDE10AHSD11B1PDE7A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9131693-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-09-15 US claimed
EP-2611297-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-06-17 EP claimed
US-20140221448-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 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 CRHR1 3769/4885IGF1R 2269/4885PDE2A 458/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 CRHR1 3769/4885IGF1R 2269/4885PDE2A 458/4885

“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.