SCHEMBL6359308

SCHEMBL6359308

O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(C(=O)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 11/20 0.68
▸ NPC1 O15118 3/20 0.63
▸ RAB9A P51151 3/20 0.63
▸ CASP3 P42574 1/20 0.63
▸ SENP7 Q9BQF6 1/20 0.63
▸ SRD5A2 P31213 1/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ PTGS2 P35354 1/20 0.53

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
SCHEMBL6360688 0.92 SERPINE1 (0.64) SERPINE1NPC1RAB9ACASP3SENP7
SCHEMBL6358123 0.84 SERPINE1 (0.89) SERPINE1MEN1KMT2ACA12CA1
SCHEMBL420616 0.81 SERPINE1 (1.00) SERPINE1TP53CA12CA1CA2
SCHEMBL8291718 0.79 MEN1 (0.58) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL6349587 0.79 NPC1 (0.64) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL18546949 0.78 SRD5A2 (0.73) NPC1RAB9ACASP3SENP7SRD5A2
SCHEMBL6351306 0.78 SERPINE1 (0.82) SERPINE1MEN1KMT2ACA12CA1
SCHEMBL6349319 0.77 SERPINE1 (0.85) SERPINE1MEN1KMT2ATP53CA12
SCHEMBL7038327 0.76 KMT2A (0.59) SERPINE1NPC1RAB9ACASP3SENP7
SCHEMBL6351589 0.76 KMT2A (0.75) SERPINE1NPC1RAB9AMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 — — US claimed

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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 SERPINE1 1929/4885NPC1 3512/4885RAB9A 3062/4885

“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.

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