SCHEMBL6833871

SCHEMBL6833871

N#Cc1ccc(NC(=O)c2cncc(C#Cc3ccccc3)c2)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
ALDH1A1 P00352 1/20 0.50
ALB P02768 2/20 0.47
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.44
NR1H4 Q96RI1 1/20 0.43
LTC4S Q16873 1/20 0.43
MCL1 Q07820 1/20 0.42
BCL2A1 Q16548 1/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
GRIK1 P39086 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
GRM5 P41594 1/20 0.41
HNF4A P41235 1/20 0.41
F10 P00742 1/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 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
SCHEMBL6349987 0.87 ALB (0.57) MAPTALDH1A1ALBHTTKMT2A
SCHEMBL6834213 0.87 ALB (0.48) MAPTALDH1A1ALBHTTKMT2A
SCHEMBL6834192 0.86 ALB (0.46) MAPTALDH1A1ALBKMT2ANR1H4
SCHEMBL6833312 0.86 ALB (0.48) MAPTALDH1A1ALBHTTKMT2A
SCHEMBL6833755 0.85 KCNH2 (0.55) MAPTALDH1A1ALBHTTKMT2A
SCHEMBL6821355 0.83 SERPINE1 (0.53) ALDH1A1ALBKMT2AMEN1GRM5
SCHEMBL6833179 0.83 ALDH1A1 (0.66) MAPTALDH1A1ALBHTTKMT2A
SCHEMBL6818495 0.82 ALB (0.45) MAPTALDH1A1ALBHTTKMT2A
SCHEMBL6353963 0.82 KMT2A (0.62) MAPTALDH1A1ALBHTTKMT2A
SCHEMBL6833241 0.80 MAPK14 (0.47) MAPTALDH1A1ALBHTTKMT2A

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 MAPT 4759/4885ALDH1A1 170/4885ALB 1417/4885

“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.