SCHEMBL266175

SCHEMBL266175

CCc1ccc(-c2ccccc2OC(F)(F)F)nc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 3/20 0.54
▸ CYP11B1 P15538 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALOX5AP P20292 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ CNR2 P34972 1/20 0.41
▸ GPR84 Q9NQS5 1/20 0.41
▸ SCN9A Q15858 4/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ METAP2 P50579 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ CHRM5 P08912 1/20 0.39
▸ ABL1 P00519 1/20 0.39

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
SCHEMBL15060598 0.86 ALOX5AP (0.44) RORCCYP11B1CYP11B2L3MBTL1ALOX5AP
SCHEMBL13017150 0.85 RORC (0.49) RORCCYP11B1CYP11B2ALDH1A1L3MBTL1
SCHEMBL15060594 0.80 ALOX5AP (0.48) RORCALDH1A1L3MBTL1ALOX5APFEN1
SCHEMBL14744175 0.78 ALOX5AP (0.51) RORCALOX5APFEN1CNR2GPR84
SCHEMBL15060623 0.78 CYP3A4 (0.44) CYP11B1CYP11B2ALDH1A1HSD11B1
SCHEMBL12568323 0.76 RORC (0.52) RORCALDH1A1L3MBTL1ALOX5APFEN1
SCHEMBL15060601 0.75 CYP11B1 (0.59) CYP11B1CYP11B2ALDH1A1L3MBTL1ALOX5AP
SCHEMBL2056330 0.75 SMN1; SMN2 (0.54) L3MBTL1CHRM5
SCHEMBL12206594 0.74 KDM1A (0.56) CYP11B1CYP11B2ALDH1A1L3MBTL1
SCHEMBL8230055 0.73 GRM5 (0.52) ALOX5APFEN1CNR2GPR84SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 — — US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 — — US disclosed
US-8471024-B2 Tetrahydrofuropyridones MERCK SHARP & DOHME, CORP. (US) 2013-06-25 — — US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 — — US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 — — US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 — — US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 — — US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 — — US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 — — US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 — — EP 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 (2 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 RORC 855/4885CYP11B1 843/4885CYP11B2 785/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 RORC 1247/4885CYP11B1 949/4885CYP11B2 1031/4885

“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.

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