SCHEMBL6833968

SCHEMBL6833968

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2c(Br)cc(Br)c(NC(=O)Cc3ccccc3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.39
ALB P02768 2/20 0.36
RORC P51449 1/20 0.35
CDK2 P24941 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GALR3 O60755 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
SCHEMBL6830543 0.90 ALDH1A1 (0.43) LMNAALDH1A1KDM4EPKMALB
SCHEMBL6707936 0.83 LMNA (0.35) LMNAALDH1A1KDM4ERORCKMT2A
SCHEMBL6710244 0.82 PARP14 (0.34) LMNAALDH1A1KDM4ERORCGAA
SCHEMBL6830370 0.81 LMNA (0.36) LMNAALDH1A1KDM4EPKMALB
SCHEMBL6834027 0.81 ALB (0.40) ALBCDK2KMT2AMEN1GAA
SCHEMBL6830562 0.78 ALB (0.42) ALDH1A1KDM4EALBCDK2KMT2A
SCHEMBL6830635 0.76 ALB (0.41) LMNAPKMALBKMT2AMEN1
SCHEMBL6830873 0.75 LMNA (0.38) LMNAALDH1A1KDM4EPKMALB
SCHEMBL6710049 0.74 HIF1A (0.39) LMNAALDH1A1KDM4ECDK2KMT2A
SCHEMBL6709946 0.74 LMNA (0.36) LMNAALDH1A1KDM4ERORCCDK2

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 LMNA 3376/4885ALDH1A1 170/4885KDM4E 1240/4885

“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.