SCHEMBL899830

SCHEMBL899830

O=C(c1ccc(F)cc1F)c1c(Cl)ncn1-c1ccc(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
P2RX7 Q99572 5/20 0.39
MAPK14 Q16539 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
SCN9A Q15858 2/20 0.37
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP2D6 P10635 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL899764 0.83 GABRG2 (0.38) P2RX7PTGS1PTGS2CYP11B2CYP2D6
SCHEMBL898846 0.83 MARS1 (0.38) P2RX7PTGS1PTGS2CYP11B2CYP2D6
SCHEMBL899733 0.78 GABRA2 (0.47) CYP2D6SMN1; SMN2
SCHEMBL899870 0.70 GABRG2 (0.35) CES2CES1PTGS1PTGS2CYP11B2
SCHEMBL899066 0.68 MAPK14 (0.37) HTTCES2CES1P2RX7MAPK14
SCHEMBL1726706 0.68 PTPN11 (0.40) HTTCES2CES1P2RX7MAPK14
SCHEMBL13291390 0.67 CES2 (0.74) HTTCES2CES1MAPK14RAB9A
SCHEMBL10627251 0.66 EGFR (0.52) HTTCES2CES1MAPK14KDM4E
SCHEMBL2549470 0.64 NOTUM (0.49) P2RX7
SCHEMBL2861947 0.64 HPGD (0.61) CES2CES1P2RX7MAPK14HPGD

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 3 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 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 HTT 4059/4885CES2 1120/4885CES1 1000/4885

“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.