SCHEMBL5074069

SCHEMBL5074069

CSc1ccc(-c2noc(CCC(=O)NCC(O)CNc3n[nH]c(=O)c4ccccc34)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.45
HPGD P15428 6/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 4/20 0.42
KMT2A Q03164 3/20 0.41
USP2 O75604 3/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
TNF P01375 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
SCHEMBL5077241 0.90 GAA (0.50) ALDH1A1GAAMAPTHPGDLMNA
SCHEMBL6324279 0.89 LMNA (0.53) ALDH1A1GAAMAPTHPGDLMNA
SCHEMBL6327134 0.87 HPGD (0.51) ALDH1A1GAAMAPTHPGDLMNA
SCHEMBL6328173 0.84 ALDH1A1 (0.42) ALDH1A1GAAMAPTHPGDLMNA
SCHEMBL6326417 0.80 TSHR (0.60) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL6323211 0.79 CYP1A2 (0.60) ALDH1A1GAAMAPTHPGDLMNA
SCHEMBL6326400 0.79 ALDH1A1 (0.52) ALDH1A1GAAMAPTHPGDLMNA
SCHEMBL6327432 0.78 MAPT (0.54) ALDH1A1GAAMAPTHPGDLMNA
SCHEMBL6327228 0.78 TSHR (0.58) ALDH1A1GAAMAPTHPGDLMNA
SCHEMBL6325574 0.78 TSHR (0.58) ALDH1A1GAAMAPTHPGDLMNA

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 5 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

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-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 ALDH1A1 712/4885GAA 1515/4885MAPT 1336/4885

“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.