SCHEMBL5889574

SCHEMBL5889574

CCCNCCNC(=O)c1cc2cc(NC(=O)c3ccc4[nH]c(C(=O)Nc5ccc6[nH]c(C(=O)NCCNCCC)cc6c5)cc4c3)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
HDAC2 Q92769 7/20 0.49
PLD2 O14939 1/20 0.49
PLD1 Q13393 1/20 0.49
HDAC3 O15379 5/20 0.48
HDAC1 Q13547 5/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
NHERF1 O14745 1/20 0.47
MMP13 P45452 1/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
ALOX15 P16050 1/20 0.46
EGFR P00533 1/20 0.46
PIK3CA P42336 1/20 0.46

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
SCHEMBL5889512 0.92 HDAC2 (0.50) KDM4EHDAC2PLD2PLD1MAPT
SCHEMBL5889528 0.90 PYGL (0.48) KDM4EHDAC2PLD2PLD1ALDH1A1
SCHEMBL5889839 0.88 HDAC2 (0.56) KDM4EHDAC2PLD2PLD1NPC1
SCHEMBL5889645 0.85 KDM4E (0.46) KDM4EHDAC2PLD2PLD1ALDH1A1
SCHEMBL5889622 0.83 ITGB3 (0.53) KDM4EHDAC2PLD2PLD1NHERF1
SCHEMBL5889830 0.83 KDM4E (0.57) KDM4EHDAC2PLD2PLD1NHERF1
SCHEMBL5889837 0.83 HDAC2 (0.48) HDAC2PLD2PLD1NHERF1
SCHEMBL5677265 0.82 ITGB3 (0.54) KDM4EHDAC2PLD2PLD1NHERF1
SCHEMBL5889693 0.82 HRH4 (0.56) KDM4EHDAC2PLD2PLD1MAPT
SCHEMBL5889619 0.81 HDAC2 (0.49) KDM4EHDAC2PLD2PLD1MAPT

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 10 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
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 (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 3560/4885HDAC2 1132/4885PLD2 3783/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 KDM4E 3560/4885HDAC2 1132/4885PLD2 3783/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 KDM4E 1515/4885HDAC2 2108/4885PLD2 4801/4885

“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.