SCHEMBL5065601

SCHEMBL5065601

Nc1ccc(-c2ncc[nH]c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.47
PDE3A Q14432 3/20 0.47
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
PARP1 P09874 2/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL29948010 0.81 PDE3B (0.47) PDE3BPDE3AALDH1A1NISCHPARP1
SCHEMBL13619228 0.81 NISCH (0.56) MAPTALDH1A1CYP3A4AURKBINCENP
SCHEMBL13619043 0.81 PDE3B (0.47) PDE3BPDE3AALDH1A1KDM4ERAB9A
SCHEMBL17151506 0.81 PDE3B (0.47) PDE3BPDE3ARAB9ANAMPTBRD4
SCHEMBL5065569 0.81 MTOR (0.53) PDE3BPDE3AMAPTALDH1A1CYP3A4
SCHEMBL15144399 0.77 PDE3B (0.51) PDE3BPDE3AALDH1A1KDM4ERAB9A
SCHEMBL3949651 0.77 KDM5B (0.42) PDE3BPDE3AMAPTALDH1A1CYP3A4
SCHEMBL6619540 0.73 DAO (0.42) PDE3BPDE3AMAPTALDH1A1CYP3A4
SCHEMBL10726634 0.73 ALDH1A1 (0.53) PDE3BPDE3AMAPTALDH1A1TP53
SCHEMBL61086 0.72 NISCH (0.64) PDE3BPDE3AMAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-09-25 US disclosed
EP-1737826-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2007-01-03 EP disclosed
WO-2005075438-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2005-08-18 WO 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-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases ITGB4, ITGA4, ICAM1 PDE3B 1265/4885PDE3A 1897/4885MAPT 2408/4885

“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.