SCHEMBL898835

SCHEMBL898835

CCOC(=O)c1cncn1-c1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRB2 P47870 4/20 0.50
CYP11B2 P19099 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP11B1 P15538 2/20 0.50
LMNA P02545 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ABCB11 O95342 1/20 0.50
GABRA2 P47869 1/20 0.50
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EED O75530 3/20 0.41
SUZ12 Q15022 2/20 0.40
EZH2 Q15910 2/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL10559248 0.85 GABRB2 (0.51) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
SCHEMBL4833478 0.80 GABRB2 (0.54) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
SCHEMBL10661347 0.79 GABRA1 (0.44) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
SCHEMBL10564954 0.79 CYP11B2 (0.48) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
SCHEMBL1541405 0.79 GABRB2 (0.60) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
SCHEMBL10660464 0.79 GABRA1 (0.46) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
SCHEMBL10667558 0.78 GABRA1 (0.45) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
SCHEMBL10569735 0.77 GABRA1 (0.68) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
SCHEMBL10669102 0.77 GABRB2 (0.44) GABRA1GABRB2CYP11B2CYP1A2CYP3A4
SCHEMBL10667269 0.77 GABRB2 (0.49) GABRA1GABRB2CYP11B2CYP1A2CYP3A4

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 GABRA1 2106/4885GABRB2 2523/4885CYP11B2 114/4885

“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.