SCHEMBL6835622

SCHEMBL6835622

N#Cc1ccc(NC(=O)c2ccc(SCCCOc3ccc(Br)cc3)nc2)c(C(=O)OC(=O)c2cc(Br)ccc2NC(=O)c2cc(-c3ccccc3)on2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.55
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SCD O00767 2/20 0.39
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MAPT P10636 1/20 0.38
SMPD1 P17405 2/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6835618 0.95 ALB (0.62) ALBMEN1KMT2ASCDAKR1C2
SCHEMBL6821999 0.78 ALB (0.51) ALBMEN1KMT2ASCDRAB9A
SCHEMBL6821996 0.73 ALB (0.58) ALBMEN1KMT2ASCDRAB9A
SCHEMBL6830537 0.72 ALB (1.00) ALBMEN1KMT2AAKR1C2AKR1C1
SCHEMBL6813729 0.70 TDP1 (0.55) MEN1KMT2ASCDRXFP1MAPT
SCHEMBL6833784 0.69 ALB (0.75) ALBMEN1KMT2A
SCHEMBL6830644 0.69 ALB (0.77) ALBMEN1KMT2AAKR1C2AKR1C1
SCHEMBL6833997 0.69 ALB (0.58) ALBMEN1KMT2ARXFP1RAB9A
SCHEMBL6833894 0.69 ALB (0.77) ALBMEN1KMT2AAKR1C2AKR1C1
SCHEMBL6833946 0.69 ALB (0.76) ALBMEN1KMT2A

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 1417/4885MEN1 4132/4885KMT2A 2853/4885

“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.