SCHEMBL6830399

SCHEMBL6830399

O=C(Nc1ccc(Br)cc1C(=O)O)c1ncc(-c2ccco2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 3/20 0.47
AKR1C1 Q04828 3/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.45
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 2/20 0.45
ESR1 P03372 1/20 0.45
PLA2G1B P04054 1/20 0.45
PPARG P37231 1/20 0.45
RECQL P46063 1/20 0.45
GFER P55789 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL6830685 0.85 TUBB4A (0.58) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6818185 0.84 HTT (0.45) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL6834025 0.80 HDAC1 (0.47) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6834625 0.80 HDAC1 (0.53) AKR1C2AKR1C1AKR1C4AKR1C3MAPT
SCHEMBL6833920 0.79 AKR1C2 (0.44) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6834206 0.79 KCNK2 (0.44) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6830632 0.79 HDAC1 (0.51) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6833263 0.78 HDAC6 (0.51) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6834004 0.78 TUBB4A (0.44) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6830680 0.78 FAAH (0.49) 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 2161/4885AKR1C4 2813/4885

“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.