SCHEMBL5889669

SCHEMBL5889669

NCCNC(=O)c1cc2cc(NC(=O)c3cncc(C(=O)Nc4ccc5[nH]c(C(=O)NCCN)cc5c4)c3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
HDAC2 Q92769 4/20 0.48
ITGB3 P05106 7/20 0.46
ITGA2B P08514 7/20 0.46
NHERF1 O14745 1/20 0.43
PYGL P06737 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HDAC1 Q13547 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 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
SCHEMBL5889522 0.89 KDM4E (0.53) KDM4EHSD17B10HDAC2ITGB3ITGA2B
SCHEMBL5677265 0.85 ITGB3 (0.54) KDM4EHSD17B10HDAC2ITGB3ITGA2B
SCHEMBL5889562 0.84 HDAC2 (0.50) KDM4EHSD17B10HDAC2ITGB3ITGA2B
SCHEMBL5889851 0.83 KDM4E (0.52) KDM4EHSD17B10HDAC2ITGB3ITGA2B
SCHEMBL6500694 0.83 HRH4 (0.47) KDM4EHSD17B10HDAC2ITGB3ITGA2B
SCHEMBL5889537 0.82 KDM4E (0.51) KDM4EHSD17B10HDAC2ITGB3ITGA2B
SCHEMBL5889464 0.82 KDM4E (0.50) KDM4EHSD17B10HDAC2ITGB3ITGA2B
SCHEMBL5889557 0.81 KDM4E (0.46) KDM4EHSD17B10HDAC2ITGB3ITGA2B
SCHEMBL5680312 0.80 NHERF1 (0.54) KDM4EHSD17B10HDAC2ITGB3ITGA2B
SCHEMBL5896783 0.80 ITGB3 (0.58) KDM4EHSD17B10HDAC2ITGB3ITGA2B

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
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
WO-2002000650-A9 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECH INC (US) 2003-03-06 WO 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 (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-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 KDM4E 3560/4885HSD17B10 2227/4885HDAC2 1132/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 KDM4E 3560/4885HSD17B10 2227/4885HDAC2 1132/4885

“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.