SCHEMBL6818580

SCHEMBL6818580

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 5/20 0.56
HPGD P15428 5/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
RXFP1 Q9HBX9 2/20 0.54
MAPT P10636 5/20 0.54
LMNA P02545 3/20 0.54
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PTPN1 P18031 1/20 0.53
OPRM1 P35372 2/20 0.52
HTR1A P08908 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CNR1 P21554 1/20 0.52
DRD1 P21728 1/20 0.52
HTR2A P28223 1/20 0.52
ADORA2A P29274 1/20 0.52

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
SCHEMBL6830698 0.84 KMT2A (0.60) ALDH1A1KDM4EHPGDRAB9AKMT2A
SCHEMBL418049 0.84 SERPINE1 (0.63) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL6835903 0.80 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDRAB9AKMT2A
SCHEMBL1307201 0.79 KCNK2 (0.64) ALDH1A1KMT2AMEN1MAPT
SCHEMBL6822791 0.78 CYP1A2 (0.56) ALDH1A1KDM4EHPGDRAB9AKMT2A
SCHEMBL6818230 0.76 MEN1 (0.47) ALDH1A1KDM4EHPGDRAB9AKMT2A
SCHEMBL1307619 0.75 KMT2A (0.72) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL419651 0.74 HPGD (0.74) ALDH1A1KDM4EHPGDRAB9AKMT2A
SCHEMBL1307332 0.74 PPARG (0.71) KDM4ERAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL21701476 0.73 OPRM1 (0.56) ALDH1A1KDM4EHPGDKMT2AMEN1

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 disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALDH1A1 170/4885KDM4E 1240/4885HPGD 1657/4885

“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.