SCHEMBL7310388

SCHEMBL7310388

NCCc1cn(Cc2ccc(C(=O)O)cc2)c2ccc(OCc3ccc(F)cc3Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.51
IGF1R P08069 5/20 0.51
FLT4 P35916 5/20 0.51
KDR P35968 5/20 0.51
PPARD Q03181 3/20 0.50
NR4A2 P43354 2/20 0.45
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
THRB P10828 1/20 0.43
PLA2G2A P14555 4/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 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
SCHEMBL7314794 0.92 PPARD (0.49) EGFRIGF1RFLT4KDRPPARD
SCHEMBL7319796 0.89 EGFR (0.42) EGFRIGF1RFLT4KDRPPARD
SCHEMBL7307435 0.88 EGFR (0.47) EGFRIGF1RFLT4KDRPPARD
SCHEMBL7311360 0.86 EGFR (0.58) EGFRIGF1RFLT4KDRPPARD
SCHEMBL7318366 0.85 EGFR (0.45) EGFRIGF1RFLT4KDRPPARD
SCHEMBL7318396 0.84 EGFR (0.50) EGFRIGF1RFLT4KDRPPARD
SCHEMBL7318490 0.83 EGFR (0.56) EGFRIGF1RFLT4KDRPPARD
SCHEMBL7312021 0.82 EGFR (0.69) EGFRIGF1RFLT4KDRPPARD
SCHEMBL7318188 0.82 EGFR (0.57) EGFRIGF1RFLT4KDRPPARD
SCHEMBL7308490 0.81 EGFR (0.61) EGFRIGF1RFLT4KDRPPARD

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.