SCHEMBL899443

SCHEMBL899443

CCOC(=O)c1cncn1-c1ccc(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB2 P47870 11/20 0.44
GABRA2 P47869 10/20 0.44
GABRG2 P18507 7/20 0.44
GABRB3 P28472 7/20 0.44
GABRA5 P31644 7/20 0.44
CYP1A2 P05177 3/20 0.44
GABRA1 P14867 3/20 0.44
CYP2C19 P33261 2/20 0.44
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
MEN1 O00255 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44

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
SCHEMBL24013805 0.88 GABRG2 (0.44) GABRB2GABRA2GABRG2GABRB3GABRA5
SCHEMBL30228350 0.88 GABRG2 (0.44) GABRB2GABRA2GABRG2GABRB3GABRA5
SCHEMBL30350059 0.83 CYP11B2 (0.52) GABRB2GABRA2GABRG2GABRB3GABRA5
SCHEMBL29276897 0.82 GABRG2 (0.44) GABRB2GABRA2GABRG2GABRB3GABRA5
SCHEMBL30292711 0.82 GABRG2 (0.44) GABRB2GABRA2GABRG2GABRB3GABRA5
SCHEMBL4833478 0.80 GABRB2 (0.54) GABRB2GABRA2CYP1A2GABRA1CYP2C19
SCHEMBL899733 0.79 GABRA2 (0.47) GABRB2GABRA2GABRG2GABRB3GABRA5
SCHEMBL32680189 0.78 CYP1A2 (0.47) GABRB2GABRA2CYP1A2GABRA1CYP2C19
SCHEMBL2071880 0.78 CYP11B2 (0.46) GABRB2GABRA2GABRG2GABRB3GABRA5
SCHEMBL25153554 0.74 LMNA (0.51) GABRB2GABRA2CYP1A2GABRA1CYP2C19

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 GABRB2 2523/4885GABRA2 2813/4885GABRG2 2455/4885

“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.