Sugi Predict

Sugi Predict / Compounds / SCHEMBL5889626

SCHEMBL5889626

SCHEMBL5889626

CCCCn1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCC(=N)NCC)n(CCCC)c3)cc2)cc1C(=O)NCC(=N)NCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ CNR2 P34972 2/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 3/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HRAS P01112 5/20 0.35
▸ ESR1 P03372 5/20 0.35
▸ ESR2 Q92731 5/20 0.35
▸ NR1H4 Q96RI1 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ BDKRB2 P30411 1/20 0.34
▸ TOP1 P11387 1/20 0.34

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
SCHEMBL5889656 0.91 ALDH1A1 (0.37) ALDH1A1MAPK1TRPV1CNR2MEN1
SCHEMBL5889568 0.88 HRAS (0.41) ALDH1A1MAPK1TRPV1CNR2MEN1
SCHEMBL5889570 0.83 MAP3K5 (0.38) ALDH1A1HRASESR1ESR2HPGD
SCHEMBL5889627 0.81 ALDH1A1 (0.37) ALDH1A1MAPK1TRPV1CNR2MEN1
SCHEMBL5889657 0.77 ALDH1A1 (0.37) ALDH1A1MAPK1TRPV1CNR2MEN1
SCHEMBL5889569 0.76 ALDH1A1 (0.38) ALDH1A1MAPK1TRPV1CNR2MEN1
SCHEMBL5889513 0.70 NAMPT (0.38) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL5889825 0.69 HRAS (0.43) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL5889659 0.69 HRAS (0.41) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL5889546 0.69 HRAS (0.42) ALDH1A1MEN1KMT2ALMNAMAPT

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 ALDH1A1 597/4885MAPK1 1694/4885TRPV1 1125/4885

“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.