SCHEMBL5889502

SCHEMBL5889502

CN(C(=N)N)C(=O)c1cc(NC(=O)C2=CC=C(C(=O)Nc3cc(C(=O)N(C)C(=N)N)n(CC4CC4)c3)CC2)cn1CC1CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.33
ESR1 P03372 1/20 0.33
TOP1 P11387 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM1A O60341 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
SCHEMBL5889518 0.88 MCHR1 (0.37) KDM1A
SCHEMBL5889824 0.85 HPGD (0.36) HRASESR1TOP1ESR2KDM4E
SCHEMBL5889598 0.83
SCHEMBL5889496 0.81 ITGB3 (0.39) KDM4EPOLBKDM1A
SCHEMBL5889671 0.81 XDH (0.32) HRASESR1TOP1ESR2KDM4E
SCHEMBL7177291 0.70 HRAS (0.39) HRASESR1TOP1ESR2KDM4E
SCHEMBL5889569 0.69 ALDH1A1 (0.38) HRASESR1TOP1ESR2KDM4E
SCHEMBL6488158 0.64 HRAS (0.51) HRASESR1TOP1ESR2KDM4E
SCHEMBL5889570 0.64 MAP3K5 (0.38) HRASESR1TOP1ESR2KDM4E
SCHEMBL5896641 0.63 HRAS (0.48) HRASESR1TOP1ESR2KDM4E

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 5 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 claimed
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GLAXOSMITHKLINE LLC 2003-11-13 US claimed
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 HRAS 1040/4885ESR1 4541/4885TOP1 238/4885

“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.