SCHEMBL6813586

SCHEMBL6813586

N#Cc1ccc(NC(=O)c2cc(-c3ccccc3Br)on2)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 8/20 0.43
MEN1 O00255 6/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SCD O00767 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACR P10323 1/20 0.42
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
HCRTR1 O43613 1/20 0.41
ALB P02768 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL6833848 0.89 KMT2A (0.56) ALDH1A1KDM4ELMNATDP1KMT2A
SCHEMBL6833885 0.89 TDP1 (0.49) ALDH1A1KDM4ELMNATDP1KMT2A
SCHEMBL6833933 0.89 NPC1 (0.54) ALDH1A1KDM4ELMNATDP1KMT2A
SCHEMBL6834026 0.88 KMT2A (0.46) ALDH1A1KDM4ELMNATDP1KMT2A
SCHEMBL6830647 0.88 KMT2A (0.49) ALDH1A1KDM4ELMNATDP1KMT2A
SCHEMBL6813729 0.86 TDP1 (0.55) ALDH1A1KDM4ELMNATDP1KMT2A
SCHEMBL6817690 0.85 HSD17B10 (0.62) ALDH1A1KDM4ELMNATDP1KMT2A
SCHEMBL6818899 0.85 KMT2A (0.57) ALDH1A1KDM4ELMNATDP1KMT2A
SCHEMBL6818833 0.84 PYGL (0.49) ALDH1A1KDM4ELMNATDP1KMT2A
SCHEMBL6818791 0.84 HSD17B10 (0.48) ALDH1A1KDM4ELMNATDP1KMT2A

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 1240/4885LMNA 3376/4885

“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.