SCHEMBL898910

SCHEMBL898910

Cc1nc(Br)n(-c2ccc(F)cc2F)c1C(O)c1ccc(F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.35
GRM5 P41594 1/20 0.35
P2RX7 Q99572 2/20 0.34
NR3C2 P08235 2/20 0.31
CNR1 P21554 2/20 0.31
PDE2A O00408 1/20 0.31
PDE6D O43924 1/20 0.31
PDE6A P16499 1/20 0.31
PDE6G P18545 1/20 0.31
PDE6B P35913 1/20 0.31
PDE6C P51160 1/20 0.31
PDE6H Q13956 1/20 0.31
PDE10A Q9Y233 1/20 0.31
TRPC5 Q9UL62 1/20 0.31
CNR2 P34972 1/20 0.31
CYP3A4 P08684 2/20 0.31
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 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
SCHEMBL14990208 0.93 MDM2 (0.32) P2RX7NR3C2TRPC5
SCHEMBL899328 0.91 NR3C2 (0.31) NR3C2TRPC5
SCHEMBL899221 0.88 GLA (0.36) GLAGRM5P2RX7NR3C2CNR1
SCHEMBL899352 0.88 NR3C2 (0.33) P2RX7NR3C2CYP3A4
SCHEMBL899040 0.86 NR3C2 (0.32) NR3C2
SCHEMBL898723 0.85 NR3C2 (0.36) NR3C2MAPK13MAPK12MAPK11MAPK14
SCHEMBL898213 0.84 NR3C2 (0.35) NR3C2PDE2APDE10AMAPK14
SCHEMBL898917 0.83 NR3C2 (0.31) P2RX7NR3C2CYP3A4
SCHEMBL898897 0.82 NR3C2 (0.31) NR3C2TRPC5
SCHEMBL898060 0.81 TRPC5 (0.33) GLAGRM5NR3C2TRPC5MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621907-A1 FUNGICIDAL IMIDAZOLES E.I. Du Pont De Nemours And Company (US) 2013-08-07 EP claimed
US-20130143929-A1 FUNGICIDAL IMIDAZOLES EI DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US claimed
WO-2012044650-A1 FUNGICIDAL IMIDAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-05 WO claimed
EP-2621907-A1 FUNGICIDAL IMIDAZOLES E.I. Du Pont De Nemours And Company (US) 2013-08-07 EP disclosed
US-20130143929-A1 FUNGICIDAL IMIDAZOLES EI DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
WO-2012044650-A1 FUNGICIDAL IMIDAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-05 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 (1 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-20130143929-A1 FUNGICIDAL IMIDAZOLES CYP1A1, CYP1B1, CYP2E1 GLA 4314/4885GRM5 3322/4885P2RX7 961/4885

“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.