SCHEMBL6835741

SCHEMBL6835741

CCCCc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.57
KDM4E B2RXH2 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
THPO P40225 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
HIF1A Q16665 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 1/20 0.57
AKR1C2 P52895 3/20 0.54

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
SCHEMBL7065155 0.93 AKR1C2 (0.51) NFKB1KDM4ETDP1MEN1KMT2A
SCHEMBL14075210 0.84 PLK1 (0.69) POLBAKR1C2AKR1C1PLK1PLK3
SCHEMBL6833242 0.80 PLK1 (0.58) KDM4ETDP1MEN1KMT2APOLB
SCHEMBL6833147 0.79 POLB (0.53) KDM4ETDP1MEN1KMT2AMAPT
SCHEMBL6833223 0.78 POLB (0.52) KDM4ETDP1MEN1KMT2APOLB
SCHEMBL6819558 0.77 POLB (0.51) KDM4ETDP1MEN1KMT2APOLB
SCHEMBL31277623 0.76 NFKB1 (0.69) NFKB1KDM4ETDP1MEN1KMT2A
SCHEMBL14885214 0.76 NFKB1 (0.69) NFKB1KDM4ETDP1MEN1KMT2A
SCHEMBL31277636 0.76 ALDH1A1 (0.59) NFKB1KDM4ETDP1MEN1KMT2A
SCHEMBL6835698 0.76 SORT1 (0.54) MEN1KMT2AALDH1A1L3MBTL1POLB

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 claimed
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 NFKB1 86/4885KDM4E 1240/4885TDP1 2738/4885

“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.