SCHEMBL5889496

SCHEMBL5889496

CN(C(=N)N)C(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)N(C)C(=N)N)n(CC4CC4)c3)nc2)cn1CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PRKAA2 P54646 3/20 0.38
P4HTM Q9NXG6 5/20 0.38
KDM1A O60341 1/20 0.37
MAP3K5 Q99683 2/20 0.37
F10 P00742 1/20 0.36
HPGD P15428 1/20 0.36
NAMPT P43490 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35

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 0.92 HPGD (0.36) ALDH1A1POLBLMNASMN1; SMN2KDM4E
SCHEMBL5889518 0.91 MCHR1 (0.37) ITGB3ITGA2BKDM1AMAP3K5
SCHEMBL5889463 0.82 HRAS (0.46) ITGB3ITGA2BALDH1A1POLBKDM4E
SCHEMBL5889671 0.82 XDH (0.32) POLBKDM4EKDM1A
SCHEMBL5889502 0.81 HRAS (0.33) POLBKDM4EKDM1A
SCHEMBL5889598 0.76
SCHEMBL7177291 0.74 HRAS (0.39) ITGB3ITGA2BPOLBKDM4EKDM1A
SCHEMBL5889569 0.74 ALDH1A1 (0.38) ALDH1A1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL5889611 0.72 HRAS (0.49) POLBKDM4EKDM1A
SCHEMBL5889504 0.71 HRAS (0.52) ITGB3ITGA2BPOLBKDM4EKDM1A

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 ITGB3 4485/4885ITGA2B 4757/4885ALDH1A1 597/4885

“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.