Sugi Predict

Sugi Predict / Compounds / SCHEMBL5889570

SCHEMBL5889570

SCHEMBL5889570

CCNC(=N)CNC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCC(=N)NCC)n(CC4CC4)c3)cc2)cn1CC1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 2/20 0.38
▸ MAPK14 Q16539 6/20 0.38
▸ P2RY14 Q15391 3/20 0.35
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ HRAS P01112 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ TOP1 P11387 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ EPHA3 P29320 1/20 0.33
▸ FRK P42685 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL5889626 0.83 ALDH1A1 (0.37) HRASESR1TOP1ESR2KDM4E
SCHEMBL5889504 0.80 HRAS (0.52) MAP3K5HRASESR1TOP1ESR2
SCHEMBL5896854 0.76 HRAS (0.48) MAPK14HRASESR1TOP1ESR2
SCHEMBL5896641 0.76 HRAS (0.48) HRASESR1TOP1ESR2KDM4E
SCHEMBL5889518 0.76 MCHR1 (0.37) MAP3K5P2RY14KDM1A
SCHEMBL7693557 0.76 NSD2 (0.37) MAP3K5MAPK14HRASESR1TOP1
SCHEMBL5889656 0.74 ALDH1A1 (0.37) HRASESR1TOP1ESR2KDM4E
SCHEMBL5889841 0.73 FDPS (0.39) MAP3K5P2RY14NAMPTKDM4EALDH1A1
SCHEMBL5896846 0.73 TOP1 (0.45) MAP3K5HRASESR1TOP1ESR2
SCHEMBL5680577 0.73 HRAS (0.44) MAP3K5HRASESR1TOP1ESR2

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 MAP3K5 1155/4885MAPK14 2231/4885P2RY14 4075/4885

“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.