SCHEMBL5889693

SCHEMBL5889693

CN(C)CCCNC(=O)c1cc2cc(NC(=O)c3ccc4[nH]c(C(=O)Nc5ccc6[nH]c(C(=O)NCCCN(C)C)cc6c5)cc4c3)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
NR4A1 P22736 1/20 0.55
HTR2C P28335 1/20 0.54
SYK P43405 1/20 0.54
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ABL1 P00519 1/20 0.51
SRC P12931 1/20 0.51
ITGB3 P05106 5/20 0.49
ITGA2B P08514 5/20 0.49
MCHR1 Q99705 2/20 0.49
ACKR3 P25106 1/20 0.49
HDAC2 Q92769 1/20 0.48
PLD2 O14939 1/20 0.48
PLD1 Q13393 1/20 0.48
MAPT P10636 1/20 0.47
HRAS P01112 1/20 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
SCHEMBL5889578 0.88 HTR2C (0.61) HRH4HRH3NR4A1HTR2CSYK
SCHEMBL5889839 0.84 HDAC2 (0.56) HRH4HRH3KDM4EITGB3ITGA2B
SCHEMBL5889512 0.83 HDAC2 (0.50) KDM4EALDH1A1ITGB3ITGA2BHDAC2
SCHEMBL5896783 0.83 ITGB3 (0.58) KDM4EHSD17B10ITGB3ITGA2BHDAC2
SCHEMBL5889528 0.83 PYGL (0.48) KDM4EALDH1A1ITGB3ITGA2BHDAC2
SCHEMBL5896843 0.82 HTR2C (0.59) HRH4HRH3NR4A1HTR2CSYK
SCHEMBL5889814 0.82 HDAC2 (0.50) HRH4HRH3HTR2CKDM4EHSD17B10
SCHEMBL5889830 0.82 KDM4E (0.57) KDM4EHSD17B10ITGB3ITGA2BHDAC2
SCHEMBL5889574 0.82 KDM4E (0.50) KDM4EALDH1A1HDAC2PLD2PLD1
SCHEMBL5677289 0.81 ITGB3 (0.53) KDM4EALDH1A1ITGB3ITGA2BHDAC2

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 8 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
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

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 HRH4 4636/4885HRH3 4588/4885NR4A1 3713/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 HRH4 4636/4885HRH3 4588/4885NR4A1 3713/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 HRH4 2149/4885HRH3 2342/4885NR4A1 3053/4885

“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.