SCHEMBL173889

SCHEMBL173889

Cn1nc(Br)cc1-c1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.46
NISCH Q9Y2I1 1/20 0.38
PDE2A O00408 3/20 0.36
PDE10A Q9Y233 3/20 0.36
PDE7A Q13946 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
PDE6D O43924 1/20 0.35
PDE6A P16499 1/20 0.35
PDE6G P18545 1/20 0.35
PDE6B P35913 1/20 0.35
PDE6C P51160 1/20 0.35
PDE6H Q13956 1/20 0.35
IGF1R P08069 1/20 0.34
P2RX7 Q99572 2/20 0.33
DPP4 P27487 1/20 0.33
GRM2 Q14416 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 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
SCHEMBL28103411 0.83 HSD11B1 (0.50) HSD11B1NISCHPDE2APDE10APDE7A
SCHEMBL27217157 0.75 HDAC6 (0.42)
SCHEMBL171101 0.73 HSD11B1 (0.47) HSD11B1NISCHPDE2APDE10APDE7A
SCHEMBL24409348 0.72 NR1H4 (0.52) HSD11B1SCN10AP2RX7
SCHEMBL174334 0.72 HSD11B1 (0.43) HSD11B1NISCHSCN10AIGF1RP2RX7
SCHEMBL173503 0.70 HSD11B1 (0.47) HSD11B1NISCHPDE2APDE10APDE7A
SCHEMBL24425219 0.69 CXCR1 (0.41) SCN10AP2RX7
SCHEMBL15331398 0.69 HSD11B1 (0.40) HSD11B1NISCHPDE2APDE10ASCN10A
SCHEMBL17290382 0.69 HSD11B1 (0.46) HSD11B1NISCHPDE2APDE10APDE7A
SCHEMBL20698175 0.69 HSD11B1 (0.49) HSD11B1NISCHPDE2APDE10APDE7A

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 7 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 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 HSD11B1 886/4885NISCH 973/4885PDE2A 458/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 HSD11B1 886/4885NISCH 973/4885PDE2A 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.