SCHEMBL5889537

SCHEMBL5889537

NCCNC(=O)c1cc2ccc(NC(=O)c3ccc4[nH]c(C(=O)Nc5ccc6cc(C(=O)NCCN)[nH]c6c5)cc4c3)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ITGB3 P05106 9/20 0.51
ITGA2B P08514 9/20 0.51
HDAC2 Q92769 4/20 0.50
NHERF1 O14745 1/20 0.48
PLD2 O14939 1/20 0.47
PLD1 Q13393 1/20 0.47
EGFR P00533 2/20 0.47
PIK3CA P42336 2/20 0.47

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
SCHEMBL5896655 0.98 KDM4E (0.51) KDM4EHSD17B10ITGB3ITGA2BHDAC2
SCHEMBL5889476 0.94 KDM4E (0.61) KDM4EHSD17B10ITGB3ITGA2BHDAC2
SCHEMBL5677265 0.92 ITGB3 (0.54) KDM4EHSD17B10ITGB3ITGA2BHDAC2
SCHEMBL5889592 0.90 ITGB3 (0.50) KDM4EHSD17B10ITGB3ITGA2BHDAC2
SCHEMBL5889563 0.89 KDM4E (0.53) KDM4EHSD17B10ITGB3ITGA2BHDAC2
SCHEMBL5896620 0.88 KDM4E (0.50) KDM4EITGB3ITGA2BNHERF1PLD2
SCHEMBL5889601 0.87 HDAC2 (0.44) KDM4EHSD17B10ITGB3ITGA2BHDAC2
SCHEMBL5896829 0.87 LEF1 (0.47) KDM4EHSD17B10ITGB3ITGA2BHDAC2
SCHEMBL5889562 0.87 HDAC2 (0.50) KDM4EHSD17B10ITGB3ITGA2BHDAC2
SCHEMBL5680312 0.87 NHERF1 (0.54) KDM4EHSD17B10ITGB3ITGA2BHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064218-B2 Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2006-06-20 US disclosed
US-6906103-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-06-14 US disclosed
US-6849713-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-02-01 US disclosed
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GLAXOSMITHKLINE LLC 2003-11-13 US disclosed
WO-2003057212-A1 POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-07-17 WO disclosed
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity SMITHKLINE BEECHAM CORPORATION 2003-06-26 US disclosed
EP-1294713-A2 COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-03-26 EP disclosed
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. 2002-03-28 US disclosed
WO-2002000650-A2 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2002-01-03 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 (3 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-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 KDM4E 3560/4885HSD17B10 2227/4885ITGB3 4164/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 KDM4E 3560/4885HSD17B10 2227/4885ITGB3 4164/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 KDM4E 1515/4885HSD17B10 1184/4885ITGB3 4485/4885

“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.