SCHEMBL6921695

SCHEMBL6921695

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2cccc(OCC3COC(C)(C)O3)c21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.36
MAPK14 Q16539 6/20 0.36
F10 P00742 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM1A O60341 1/20 0.34
JAK2 O60674 1/20 0.34
NTRK1 P04629 1/20 0.34
TRPM4 Q8TD43 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
GPR6 P46095 1/20 0.34
ALK Q9UM73 1/20 0.33
EGFR P00533 4/20 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
SCHEMBL6834429 1.00 ALB (0.36) ALBMAPK14F10RXFP1KDM1A
SCHEMBL6830121 0.91 ALB (0.40) ALBRXFP1KDM1ATRPM4LMNA
SCHEMBL6833872 0.86 KDM1A (0.43) ALBRXFP1KDM1ATRPM4LMNA
SCHEMBL6830110 0.85 PTGIR (0.39) RXFP1MAPT
SCHEMBL6835610 0.85 SMN1; SMN2 (0.40) ALBRXFP1KDM1ALMNAMAPT
SCHEMBL6834267 0.84 KDM1A (0.42) ALBRXFP1KDM1ATRPM4LMNA
SCHEMBL6709844 0.84 MAPK14 (0.33) MAPK14F10KDM1AJAK2NTRK1
SCHEMBL6834029 0.83 KDM1A (0.42) ALBRXFP1KDM1ATRPM4
SCHEMBL6710238 0.83 MAPK14 (0.35) MAPK14F10KDM1AJAK2NTRK1
SCHEMBL6814183 0.82 MRGPRX4 (0.43) ALBRXFP1TRPM4LMNAMAPT

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 1417/4885MAPK14 2632/4885F10 2314/4885

“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.