SCHEMBL6834068

SCHEMBL6834068

CSCCOc1cccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)n(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.43
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
TRPM4 Q8TD43 1/20 0.37
KMT2A Q03164 1/20 0.35
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 2/20 0.35
PYGL P06737 1/20 0.35
PYGM P11217 1/20 0.35
TP53 P04637 1/20 0.34
CDK2 P24941 1/20 0.34
BDKRB2 P30411 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
G6PD P11413 1/20 0.34
KDM1A O60341 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL6830475 0.91 ALB (0.46) ALBRXFP1LMNAMAPTTRPM4
SCHEMBL6833983 0.89 AKR1C2 (0.42) ALBRXFP1LMNAMAPTTRPM4
SCHEMBL6834153 0.89 PLK1 (0.44) ALBRXFP1LMNAMAPTTRPM4
SCHEMBL6814183 0.87 MRGPRX4 (0.43) ALBRXFP1LMNAMAPTTRPM4
SCHEMBL6834587 0.87 CYP1A2 (0.38) ALBRXFP1LMNAMAPTTRPM4
SCHEMBL6833872 0.85 KDM1A (0.43) ALBRXFP1LMNAMAPTTRPM4
SCHEMBL6830121 0.85 ALB (0.40) ALBRXFP1LMNAMAPTTRPM4
SCHEMBL6834267 0.84 KDM1A (0.42) ALBRXFP1LMNAMAPTTRPM4
SCHEMBL6833805 0.84 ALK (0.39) ALBRXFP1LMNAMAPTTRPM4
SCHEMBL6833801 0.84 ALK (0.39) ALBRXFP1LMNAMAPTTRPM4

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 claimed
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 ALB 1417/4885RXFP1 3523/4885LMNA 3376/4885

“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.