SCHEMBL5076369

SCHEMBL5076369

NC(=O)c1cccn2cc(-c3ccc(N4CCN(Cc5ccccc5)CC4)cc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.53
HTR2A P28223 2/20 0.49
DRD4 P21917 3/20 0.46
AURKA O14965 1/20 0.45
KDR P35968 1/20 0.45
AURKB Q96GD4 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL5077273 0.96 DHODH (0.49) DHODHHTR2ADRD4AURKAKDR
SCHEMBL5076308 0.87 DHODH (0.50) DHODHHTR2AAURKAAURKBKDM4E
SCHEMBL5329494 0.86 DRD4 (0.43) DHODHHTR2ADRD4HDAC3HDAC4
SCHEMBL5074072 0.85 AURKA (0.50) DHODHHTR2AAURKAAURKBKDM4E
SCHEMBL5077332 0.83 AURKA (0.58) DHODHHTR2AAURKAAURKBKDM4E
SCHEMBL5140690 0.83 DHODH (0.47) DHODHHTR2AAURKAAURKBKDM4E
SCHEMBL5076357 0.83 DHODH (0.53) DHODHHTR2AKDM4EALDH1A1MAPT
SCHEMBL5300289 0.83 DGAT1 (0.42) DHODHHTR2ADRD4HDAC3HDAC4
SCHEMBL5073335 0.81 DHODH (0.53) DHODHPARP1
SCHEMBL5076409 0.81 DHODH (0.50) DHODHKDM4EALDH1A1MAPT

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-7041675-B2 Heterocyclic compounds and their use as PARP inhibitors ABBOTT GMBH & CO. KG (DE) 2006-05-09 US disclosed
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-07-17 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-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 DHODH 4220/4885HTR2A 683/4885DRD4 3684/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 DHODH 1990/4885HTR2A 747/4885DRD4 1655/4885

“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.