SCHEMBL5889654

SCHEMBL5889654

Cc1cc(C(N)=O)ccc1C(=O)N(c1cc(C(=O)NCCCCC(=N)N)n(CCC(C)C)c1)c1cc(C(=O)NCCCCC(=N)N)n(CCC(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.37
ITGA2B P08514 6/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC6 Q9UBN7 3/20 0.34
F3 P13726 1/20 0.33
STING1 Q86WV6 2/20 0.32
ATM Q13315 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
HRAS P01112 1/20 0.31
ESR1 P03372 1/20 0.31
TOP1 P11387 1/20 0.31

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
SCHEMBL6502640 0.97 MEN1 (0.35) ITGB3ITGA2BMEN1KMT2ALMNA
SCHEMBL6491631 0.80 LMNA (0.36) ITGB3ITGA2BMEN1KMT2ALMNA
SCHEMBL5889643 0.79 HRAS (0.45) ITGB3ITGA2BMEN1KMT2ALMNA
SCHEMBL6486747 0.77 HRAS (0.46) ITGB3ITGA2BMEN1KMT2AKDM4E
SCHEMBL5889461 0.76 HRAS (0.46) ITGB3ITGA2BMEN1KMT2ALMNA
SCHEMBL6489771 0.74 HRAS (0.47) ITGB3ITGA2BMEN1KMT2ASMN1; SMN2
SCHEMBL5889576 0.72 HRAS (0.45) ITGB3ITGA2BHDAC6KDM4EPOLB
SCHEMBL5889688 0.72 HRAS (0.41) ITGB3ITGA2BMEN1KMT2ALMNA
SCHEMBL5889526 0.70 HRAS (0.53) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL6488583 0.70 HRAS (0.44) ITGB3ITGA2BKDM4EPOLBHRAS

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
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 (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 ITGB3 4164/4885ITGA2B 4289/4885MEN1 68/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 ITGB3 4164/4885ITGA2B 4289/4885MEN1 68/4885

“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.