SCHEMBL5077241

SCHEMBL5077241

O=C(CCc1nc(-c2ccc(F)cc2)no1)NCC(O)CNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CNR2 P34972 4/20 0.46
CNR1 P21554 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
TSHR P16473 3/20 0.43
USP2 O75604 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5074069 0.90 ALDH1A1 (0.50) GAAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL6324279 0.90 LMNA (0.53) GAAALDH1A1TSHRUSP2LMNA
SCHEMBL6334127 0.88 CYP1A2 (0.52) GAAALDH1A1CNR2CNR1CYP1A2
SCHEMBL6326412 0.87 TSHR (0.51) GAAALDH1A1CNR2CNR1CYP1A2
SCHEMBL6326111 0.87 TSHR (0.51) GAAALDH1A1CNR2CNR1CYP1A2
SCHEMBL6333059 0.86 SMN1; SMN2 (0.47) GAAALDH1A1CNR2CNR1CYP1A2
SCHEMBL6328173 0.84 ALDH1A1 (0.42) GAAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL6325850 0.83 HDAC1 (0.51) GAAALDH1A1CNR2CYP1A2CYP2D6
SCHEMBL6332518 0.83 HDAC1 (0.51) GAAALDH1A1CNR2CYP1A2CYP2D6
SCHEMBL6334365 0.82 HDAC1 (0.48) GAAALDH1A1CNR2CNR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO claimed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US claimed
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO disclosed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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 (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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 GAA 2424/4885ALDH1A1 338/4885CNR2 1657/4885
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 GAA 1515/4885ALDH1A1 712/4885CNR2 628/4885

“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.