Sugi Predict

Sugi Predict / Compounds / SCHEMBL5889841

SCHEMBL5889841

SCHEMBL5889841

O=C(Nc1cc(C(=O)NCC2=NCCN2)n(CC2CC2)c1)c1ccc(C(=O)Nc2cc(C(=O)NCC3=NCCN3)n(CC3CC3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.39
▸ ADRA1D P25100 6/20 0.37
▸ ADRA1A P35348 6/20 0.37
▸ ADRA1B P35368 6/20 0.37
▸ MAP3K5 Q99683 2/20 0.37
▸ NAMPT P43490 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ RPS6KA2 Q15349 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ UBE2N P61088 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ NISCH Q9Y2I1 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ P2RY14 Q15391 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
SCHEMBL7177291 0.75 HRAS (0.39) MAP3K5NAMPTPOLBKDM4E
SCHEMBL5889504 0.73 HRAS (0.52) MAP3K5POLBKDM4E
SCHEMBL5889570 0.73 MAP3K5 (0.38) MAP3K5NAMPTPOLBKDM4EALDH1A1
SCHEMBL5889469 0.70 RPS6KA2 (0.41) NAMPTRPS6KA2KMT2AALDH1A1
SCHEMBL5896641 0.70 HRAS (0.48) POLBKDM4EMAOB
SCHEMBL5896854 0.70 HRAS (0.48) POLBKDM4E
SCHEMBL5889518 0.69 MCHR1 (0.37) MAP3K5P2RY14
SCHEMBL10353966 0.68 ADRA1A (0.58) ADRA1DADRA1AADRA1BMAOAMAOB
SCHEMBL5889463 0.68 HRAS (0.46) POLBKDM4EALDH1A1
SCHEMBL5680577 0.65 HRAS (0.44) MAP3K5POLBKDM4E

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 FDPS 399/4885ADRA1D 2196/4885ADRA1A 1970/4885

“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.