SCHEMBL7318338

SCHEMBL7318338

NCCc1cn(Cc2ccc(C(=O)O)o2)c2ccc(OCc3cccc([N+](=O)[O-])c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.46
IGF1R P08069 4/20 0.46
FLT4 P35916 4/20 0.46
KDR P35968 4/20 0.46
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 5/20 0.42
MAOA P21397 1/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL7318362 0.88 EGFR (0.54) EGFRIGF1RFLT4KDRPPARG
SCHEMBL7306051 0.88 PPARG (0.54) EGFRIGF1RFLT4KDRPPARG
SCHEMBL7321558 0.86 MAOB (0.48) EGFRIGF1RFLT4KDRPPARG
SCHEMBL7317916 0.86 EGFR (0.47) EGFRIGF1RFLT4KDRPPARG
SCHEMBL7314361 0.85 EGFR (0.45) EGFRIGF1RFLT4KDRPPARG
SCHEMBL7319193 0.85 FFAR1 (0.47) EGFRIGF1RFLT4KDRPPARG
SCHEMBL7319701 0.84 EGFR (0.61) EGFRIGF1RFLT4KDRPPARG
SCHEMBL7318676 0.83 MAOB (0.45) EGFRIGF1RFLT4KDRPPARG
SCHEMBL7317280 0.83 PTGER1 (0.43) EGFRIGF1RFLT4KDRPPARG
SCHEMBL7319697 0.82 EGFR (0.48) EGFRIGF1RFLT4KDRPPARG

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-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US claimed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO claimed
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US disclosed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 EGFR 4683/4885IGF1R 4834/4885FLT4 4417/4885

“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.