SCHEMBL6835684

SCHEMBL6835684

N#Cc1ccc(NC(=O)c2csc(SCc3ccccc3)n2)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.42
MCL1 Q07820 2/20 0.41
BCL2A1 Q16548 2/20 0.41
PYGL P06737 1/20 0.41
PYGM P11217 1/20 0.41
LMNA P02545 3/20 0.40
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
LTC4S Q16873 1/20 0.39
PRSS12 P56730 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CDK2 P24941 1/20 0.39
PTPN1 P18031 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL6833982 0.88 ALB (0.37) ALBMCL1BCL2A1PYGLPYGM
SCHEMBL6834585 0.83 LMNA (0.47) ALBLMNAABL1SRCALDH1A1
SCHEMBL6835560 0.82 ALB (0.45) ALBMCL1BCL2A1PYGLPYGM
SCHEMBL6919473 0.82 ALB (0.45) ALBMCL1BCL2A1LMNAABL1
SCHEMBL6835621 0.82 SCD (0.42) ALBMCL1BCL2A1PYGLPYGM
SCHEMBL6818018 0.81 ALB (0.49) ALBMCL1BCL2A1PYGLPYGM
SCHEMBL6351822 0.78 SIRT2 (0.59) ALBMCL1BCL2A1LMNALTC4S
SCHEMBL6818090 0.77 ALB (0.65) ALBMCL1BCL2A1LTC4SALDH1A1
SCHEMBL6833859 0.77 GRM4 (0.61) PYGLPYGMALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL6833139 0.77 ALB (0.64) ALBMCL1BCL2A1LTC4SALDH1A1

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 ALB 1417/4885MCL1 2086/4885BCL2A1 583/4885

“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.