SCHEMBL6352355

SCHEMBL6352355

O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.53
MAPT P10636 4/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SERPINE1 P05121 4/20 0.53
AKR1C2 P52895 2/20 0.51
AKR1C1 Q04828 2/20 0.51
CA2 P00918 3/20 0.51
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA7 P43166 1/20 0.49
HCAR3 P49019 1/20 0.48
POLB P06746 1/20 0.48
BCL2L1 Q07817 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6352280 0.84 CA9 (0.57) CA9SERPINE1AKR1C2AKR1C1CA2
SCHEMBL6921250 0.82 POLB (0.48) MAPTL3MBTL1POLBBCL2L1ALDH1A1
SCHEMBL6349508 0.79 AKR1C2 (0.49) CA9SERPINE1AKR1C2AKR1C1CA2
SCHEMBL8668348 0.79 PDE7A (0.62) L3MBTL1POLBALDH1A1MEN1KMT2A
SCHEMBL6349527 0.76 ALDH1A1 (0.61) SERPINE1AKR1C2AKR1C1POLBALDH1A1
SCHEMBL11973051 0.74 POLB (0.72) MAPTPOLBALDH1A1
SCHEMBL13401489 0.72 ALDH1A1 (0.72) MAPTNPSR1L3MBTL1AKR1C2AKR1C1
SCHEMBL6351321 0.72 SERPINE1 (0.89) CA9MAPTSERPINE1AKR1C2AKR1C1
SCHEMBL28554455 0.72 BCL2L1 (0.58) MAPTNPSR1L3MBTL1AKR1C2AKR1C1
SCHEMBL10339426 0.71 SERPINE1 (0.69) CA9SERPINE1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US disclosed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 CA9 2085/4885MAPT 4753/4885NPSR1 3975/4885

“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.