SCHEMBL3863531

SCHEMBL3863531

N#Cc1cc(F)ccc1-c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
GABRA1 P14867 8/20 0.39
GABRG2 P18507 8/20 0.39
GABRB3 P28472 8/20 0.39
GABRA5 P31644 6/20 0.39
GABRA3 P34903 6/20 0.39
GABRA2 P47869 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
GPR3 P46089 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
USP8 P40818 1/20 0.38
USP7 Q93009 1/20 0.38
CHUK O15111 1/20 0.38
BCAT1 P54687 1/20 0.37

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
SCHEMBL21022649 0.89 ESR2 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21116203 0.86 USP8 (0.42) CYP11B1CYP11B2GABRA1GABRG2GABRB3
SCHEMBL21479818 0.82 CYP11B1 (0.42) CYP11B1CYP11B2GABRG2GABRB3GABRA5
SCHEMBL2650416 0.82 ESR2 (0.48) CYP11B1CYP11B2GABRA1GABRG2GABRB3
SCHEMBL2651557 0.81 BCAT1 (0.37) CYP11B1CYP11B2GABRA1GABRG2GABRB3
SCHEMBL9069185 0.80 ESR2 (0.47) CYP11B1CYP11B2GABRA1GABRG2GABRB3
SCHEMBL4780146 0.79 ADORA1 (0.46) ADORA2AADORA1
SCHEMBL2573945 0.78 CHKA (0.42) CYP11B1CYP11B2CHUK
SCHEMBL20989248 0.78 NFE2L2 (0.48) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL2650000 0.77 GABRA1 (0.42) CYP11B1CYP11B2GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585871-B2 4-{[(6R)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 3-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 4-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; cytokine expression WYETH (US) 2009-09-08 US disclosed
US-20060058337-A1 Phenanthridine carbonyl phenols WYETH (US) 2006-03-16 US 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-20060058337-A1 Phenanthridine carbonyl phenols MT-CO2, PAH, CBR3 CYP11B1 633/4885CYP11B2 413/4885GABRA1 4323/4885

“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.