SCHEMBL6833801

SCHEMBL6833801

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2cccc(OC[C@H](O)CO)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ALB P02768 3/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
TRPM4 Q8TD43 1/20 0.36
AKR1C2 P52895 3/20 0.35
AKR1C1 Q04828 3/20 0.35
PYGL P06737 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
PYGM P11217 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL6833805 1.00 ALK (0.39) ALKRXFP1ALBLMNAMAPT
SCHEMBL6833785 0.97 ALB (0.37) ALKRXFP1ALBLMNAMAPT
SCHEMBL6830870 0.93 TRPM4 (0.38) RXFP1ALBLMNAMAPTTRPM4
SCHEMBL6834006 0.91 LMNA (0.40) RXFP1ALBLMNAMAPTTRPM4
SCHEMBL6835637 0.91 NR2E1 (0.39) RXFP1ALBLMNAMAPTTRPM4
SCHEMBL6818501 0.88 ALB (0.39) RXFP1ALBLMNAMAPTTRPM4
SCHEMBL6833684 0.88 ALB (0.35) RXFP1ALBLMNAMAPTTRPM4
SCHEMBL6814183 0.86 MRGPRX4 (0.43) RXFP1ALBLMNAMAPTTRPM4
SCHEMBL6830475 0.86 ALB (0.46) RXFP1ALBLMNAMAPTTRPM4
SCHEMBL6833983 0.85 AKR1C2 (0.42) RXFP1ALBLMNAMAPTTRPM4

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 3 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
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 ALK 2627/4885RXFP1 3523/4885ALB 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.