SCHEMBL5072002

SCHEMBL5072002

O=C(CCc1nc(-c2ccc(Br)cc2)no1)NCCCNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 4/20 0.49
TSHR P16473 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 5/20 0.44
USP2 O75604 3/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 2/20 0.42

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
SCHEMBL6327904 0.93 HPGD (0.59) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6328284 0.92 HPGD (0.52) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6325574 0.92 TSHR (0.58) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6323594 0.92 TSHR (0.51) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6326111 0.92 TSHR (0.51) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6324028 0.91 HPGD (0.59) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6326412 0.90 TSHR (0.51) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6327228 0.90 TSHR (0.58) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6333112 0.90 TSHR (0.51) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6327134 0.89 HPGD (0.51) HPGDCYP1A2CYP2D6CYP2C9CYP2C19

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 HPGD 539/4885CYP1A2 567/4885CYP2D6 410/4885
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 HPGD 193/4885CYP1A2 2777/4885CYP2D6 3406/4885

“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.