SCHEMBL6835618

SCHEMBL6835618

N#Cc1ccc(NC(=O)c2ccc(SCCCOc3ccc(Br)cc3)nc2)c(C(=O)O)c1.O=C(Nc1ccc(Br)cc1C(=O)O)c1cc(-c2ccccc2)on1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.62
AKR1C2 P52895 2/20 0.44
AKR1C1 Q04828 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SCD O00767 2/20 0.40
RXFP1 Q9HBX9 2/20 0.38
SMPD1 P17405 2/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.37
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6835622 0.95 ALB (0.55) ALBAKR1C2AKR1C1MEN1KMT2A
SCHEMBL6821996 0.78 ALB (0.58) ALBMEN1KMT2ASCDRAB9A
SCHEMBL6830537 0.77 ALB (1.00) ALBAKR1C2AKR1C1MEN1KMT2A
SCHEMBL6813729 0.77 TDP1 (0.55) MEN1KMT2ASCDRXFP1RAB9A
SCHEMBL6833784 0.75 ALB (0.75) ALBMEN1KMT2A
SCHEMBL6830644 0.75 ALB (0.77) ALBAKR1C2AKR1C1MEN1KMT2A
SCHEMBL6833894 0.75 ALB (0.77) ALBAKR1C2AKR1C1MEN1KMT2A
SCHEMBL6833946 0.74 ALB (0.76) ALBMEN1KMT2A
SCHEMBL6830362 0.74 ALB (0.76) ALBAKR1C2AKR1C1MEN1KMT2A
SCHEMBL6813965 0.74 MEN1 (0.72) AKR1C2AKR1C1MEN1KMT2ARAB9A

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 ALB 1417/4885AKR1C2 2596/4885AKR1C1 2161/4885

“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.