SCHEMBL6352050

SCHEMBL6352050

O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(C(=NO)c2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 10/20 0.61
▸ AKR1C4 P17516 1/20 0.55
▸ AKR1C3 P42330 1/20 0.55
▸ AKR1C2 P52895 1/20 0.55
▸ AKR1C1 Q04828 1/20 0.55
▸ KCNMA1 Q12791 1/20 0.54
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ KCNK2 O95069 1/20 0.50
▸ KCNK10 P57789 1/20 0.50
▸ GRM5 P41594 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ PPARD Q03181 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.48

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
SCHEMBL6352046 1.00 SERPINE1 (0.61) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6358675 0.93 AKR1C4 (0.60) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6358679 0.93 AKR1C4 (0.60) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6352208 0.79 SERPINE1 (0.58) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6352203 0.79 SERPINE1 (0.58) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6351321 0.79 SERPINE1 (0.89) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6359728 0.78 SERPINE1 (0.57) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6359726 0.78 SERPINE1 (0.57) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL420616 0.76 SERPINE1 (1.00) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL421010 0.74 SERPINE1 (1.00) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1

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 1929/4885AKR1C4 3065/4885AKR1C3 3288/4885

“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.

Send feedback