SCHEMBL6818501

SCHEMBL6818501

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2cccc(OCC(O)COCCOc3ccccc3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.39
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM1A O60341 2/20 0.35
TRPM4 Q8TD43 1/20 0.35
PYGL P06737 1/20 0.34
PYGM P11217 1/20 0.34
TP53 P04637 1/20 0.34
TRPA1 O75762 1/20 0.34
MET P08581 2/20 0.34
MAOA P21397 1/20 0.34
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CNR1 P21554 1/20 0.33
ADRB1 P08588 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL6834006 0.91 LMNA (0.40) ALBLMNAMAPTAKR1C2AKR1C1
SCHEMBL6833785 0.90 ALB (0.37) ALBLMNAMAPTAKR1C2AKR1C1
SCHEMBL6833801 0.88 ALK (0.39) ALBLMNAMAPTAKR1C2AKR1C1
SCHEMBL6833805 0.88 ALK (0.39) ALBLMNAMAPTAKR1C2AKR1C1
SCHEMBL6833983 0.88 AKR1C2 (0.42) ALBLMNAMAPTAKR1C2AKR1C1
SCHEMBL6835637 0.88 NR2E1 (0.39) ALBLMNAMAPTRXFP1KDM1A
SCHEMBL6830870 0.88 TRPM4 (0.38) ALBLMNAMAPTAKR1C2AKR1C1
SCHEMBL6833684 0.87 ALB (0.35) ALBLMNAMAPTAKR1C2AKR1C1
SCHEMBL6830475 0.85 ALB (0.46) ALBLMNAMAPTAKR1C2AKR1C1
SCHEMBL6814183 0.83 MRGPRX4 (0.43) ALBLMNAMAPTRXFP1TRPM4

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 1417/4885LMNA 3376/4885MAPT 4759/4885

“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.