SCHEMBL6834063

SCHEMBL6834063

COc1cc(C(=O)Nc2ccc(Br)cc2C(=O)O)nn1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 3/20 0.46
AKR1C1 Q04828 3/20 0.46
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TNF P01375 1/20 0.44
PLA2G1B P04054 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
PTGER1 P34995 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
STING1 Q86WV6 1/20 0.42

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
SCHEMBL7188395 0.85 PTGER1 (0.39) AKR1C2AKR1C1CA2CA9MEN1
SCHEMBL6834328 0.82 AKR1C2 (0.48) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL7188389 0.79 LRRK2 (0.36) PTGER1CYP1A2POLBMAPTGAA
SCHEMBL17611006 0.78 P2RY14 (0.52) MEN1KMT2APTGER1CYP1A2POLB
SCHEMBL6833786 0.73 GRM5 (0.55) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6821934 0.72 AKR1C2 (0.53) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6834682 0.71 SORT1 (0.60) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6834032 0.71 CHRNB2 (0.48) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL17610977 0.71 SMN1; SMN2 (0.56) KMT2APOLBMAPTGAA
SCHEMBL6833266 0.70 STING1 (0.50) AKR1C2AKR1C1AKR1C4AKR1C3MEN1

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-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 AKR1C2 2596/4885AKR1C1 2161/4885CA2 2212/4885

“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.