SCHEMBL6833239

SCHEMBL6833239

O=C(O)c1cc(Cl)ccc1NC(=O)c1cc2ccccc2n1CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.52
CA2 P00918 1/20 0.52
CNR2 P34972 2/20 0.48
CCR2 P41597 3/20 0.47
SERPINE1 P05121 6/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
F10 P00742 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL6834168 0.89 CNR2 (0.48) CNR2CCR2SERPINE1AKR1C4AKR1C3
SCHEMBL6833160 0.89 CCR2 (0.61) CA9CA2CCR2SERPINE1AKR1C4
SCHEMBL6834681 0.88 CNR2 (0.48) CNR2CCR2AKR1C4AKR1C3AKR1C2
SCHEMBL6834130 0.88 CNR2 (0.52) CA9CA2CNR2CCR2SERPINE1
SCHEMBL6834054 0.87 ALDH1A1 (0.49) CA9CA2CNR2CCR2SERPINE1
SCHEMBL6834137 0.85 CNR2 (0.52) CNR2CCR2ALDH1A1TSHRHTT
SCHEMBL6833257 0.85 HDAC3 (0.49) CA9CA2CCR2SERPINE1AKR1C4
SCHEMBL6713348 0.82 ROCK1 (0.41) CA9CA2CNR2CCR2F10
SCHEMBL6833953 0.82 SERPINE1 (0.48) CA9CA2CCR2SERPINE1AKR1C4
SCHEMBL6833868 0.82 SERPINE1 (0.48) CA9CA2CCR2SERPINE1AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 CA9 2283/4885CA2 2212/4885CNR2 3495/4885

“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.