SCHEMBL5889824

SCHEMBL5889824

CN(C(=N)N)C(=O)c1cc(NC(=O)c2cnc(C(=O)Nc3cc(C(=O)N(C)C(=N)N)n(CC4CC4)c3)cn2)cn1CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
XDH P47989 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 1/20 0.34
KDM1A O60341 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ACKR3 P25106 1/20 0.33
HRAS P01112 1/20 0.32
ESR1 P03372 1/20 0.32
TOP1 P11387 1/20 0.32
ESR2 Q92731 1/20 0.32
GAA P10253 1/20 0.32
BACE1 P56817 6/20 0.32
SCD5 Q86SK9 1/20 0.32

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
SCHEMBL5889496 0.92 ITGB3 (0.39) HPGDSMN1; SMN2KDM4EKDM1AALDH1A1
SCHEMBL5889518 0.87 MCHR1 (0.37) KDM1AMAP3K5
SCHEMBL5889671 0.86 XDH (0.32) XDHKDM4EKDM1AHRASESR1
SCHEMBL5889502 0.85 HRAS (0.33) KDM4EKDM1AHRASESR1TOP1
SCHEMBL5889598 0.80
SCHEMBL5889463 0.72 HRAS (0.46) KDM4EALDH1A1NPC1RAB9AHRAS
SCHEMBL7177291 0.70 HRAS (0.39) KDM4EKDM1AHRASESR1TOP1
SCHEMBL5889569 0.69 ALDH1A1 (0.38) HPGDSMN1; SMN2KDM4ETSHRALDH1A1
SCHEMBL5889829 0.67 HRAS (0.48) XDHKDM4EHRASESR1TOP1
SCHEMBL5889504 0.66 HRAS (0.52) KDM4EKDM1AHRASESR1TOP1

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 4 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

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 HPGD 3099/4885XDH 298/4885SMN1; SMN2 4784/4885

“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.