SCHEMBL5028346

SCHEMBL5028346

O=C1c2ccccc2C(=O)N1Cc1cccc(N2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 1/20 0.58
PKM P14618 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 2/20 0.48
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1B1 Q16678 2/20 0.44
CASP3 P42574 1/20 0.44
GLS O94925 1/20 0.43
TYR P14679 4/20 0.42
POLB P06746 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
SCHEMBL8377843 0.88 ALDH1A1 (0.68) ALDH1A1MEN1PKMKMT2AMAPT
SCHEMBL68721 0.81 ALDH1A1 (0.45) ALDH1A1MEN1PKMKMT2AMAPT
SCHEMBL5443297 0.81 ALDH1A1 (0.45) ALDH1A1MEN1PKMKMT2AMAPT
SCHEMBL29561558 0.81 ALDH1A1 (0.45) ALDH1A1MEN1PKMKMT2AMAPT
SCHEMBL10082145 0.81 ALDH1A1 (0.45) ALDH1A1MEN1PKMKMT2AMAPT
SCHEMBL23796073 0.80 ALDH1A1 (0.58) ALDH1A1MEN1PKMKMT2AMAPT
SCHEMBL4882922 0.80 ALDH1A1 (0.58) ALDH1A1MEN1PKMKMT2AMAPT
SCHEMBL1632535 0.80 ALDH1A1 (0.58) ALDH1A1MEN1PKMKMT2AMAPT
SCHEMBL378947 0.80 ALDH1A1 (0.58) ALDH1A1MEN1PKMKMT2AMAPT
SCHEMBL2766815 0.80 MEN1 (0.58) ALDH1A1MEN1PKMKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP disclosed
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
CN-1209060-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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 (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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL ALDH1A1 2598/4885MEN1 496/4885PKM 4389/4885
US-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B ALDH1A1 2222/4885MEN1 4463/4885PKM 4368/4885

“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.