SCHEMBL5889671

SCHEMBL5889671

CN(C(=N)N)C(=O)c1cc(NC(=O)c2cc(C(=O)Nc3cc(C(=O)N(C)C(=N)N)n(CC4CC4)c3)[nH]n2)cn1CC1CC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.32
HRAS P01112 3/20 0.32
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
TOP1 P11387 1/20 0.32
MAPK7 Q13164 2/20 0.32
ACR P10323 3/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32
LRRK2 Q5S007 1/20 0.31
KDM1A O60341 1/20 0.30
SPR P35270 1/20 0.30

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
SCHEMBL5889824 0.86 HPGD (0.36) XDHHRASESR1ESR2TOP1
SCHEMBL5889518 0.85 MCHR1 (0.37) KDM1A
SCHEMBL5889496 0.82 ITGB3 (0.39) KDM4EPOLBKDM1A
SCHEMBL5889829 0.82 HRAS (0.48) XDHHRASESR1ESR2TOP1
SCHEMBL5889502 0.81 HRAS (0.33) HRASESR1ESR2TOP1KDM4E
SCHEMBL5889598 0.76
SCHEMBL7177291 0.68 HRAS (0.39) HRASESR1ESR2TOP1KDM4E
SCHEMBL5889569 0.68 ALDH1A1 (0.38) HRASESR1ESR2TOP1KDM4E
SCHEMBL5889611 0.67 HRAS (0.49) XDHHRASESR1ESR2TOP1
SCHEMBL5889477 0.66 HRAS (0.44) XDHHRASESR1ESR2TOP1

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 XDH 298/4885HRAS 1040/4885ESR1 4541/4885

“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.