SCHEMBL6833997

SCHEMBL6833997

N#Cc1ccc(NC(=O)c2ccc(SCCCCN)nc2)c(C(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.58
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
CXCR2 P25025 10/20 0.39
CXCR1 P25024 6/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
F10 P00742 2/20 0.35
RXFP1 Q9HBX9 1/20 0.33
PDE10A Q9Y233 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
Trifluoroacetic Acid SCHEMBL6833993 0.88 ALB (0.67) ALBKDM4EHTTCXCR2CXCR1
SCHEMBL6833784 0.78 ALB (0.75) ALBKDM4EHTTCXCR2CXCR1
SCHEMBL6833946 0.77 ALB (0.76) ALBKDM4EHTTCXCR2CXCR1
SCHEMBL6833308 0.76 ALB (0.75) ALBKDM4EHTTCXCR2CXCR1
SCHEMBL6833865 0.76 ALB (0.75) ALBKDM4EHTTCXCR2CXCR1
SCHEMBL6830644 0.76 ALB (0.77) ALBKDM4EHTTCXCR2CXCR1
SCHEMBL6830362 0.75 ALB (0.76) ALBKDM4EHTTCXCR2CXCR1
SCHEMBL6830537 0.73 ALB (1.00) ALBKDM4EHTTCXCR2CXCR1
Hydrochloric Acid SCHEMBL6833971 0.73 ALB (0.73) ALBKDM4EHTTCXCR2CXCR1
SCHEMBL6821999 0.73 ALB (0.51) ALBKDM4EHTTCXCR2CXCR1

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 1 patent. 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

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 1417/4885KDM4E 1240/4885HTT 1599/4885

“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.