SCHEMBL4193065

SCHEMBL4193065

C[C@@H](CC1CCCC1)NCc1ccccc1NS(=O)(=O)c1ccc2c(ccc(=O)n2CC#N)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
SCN9A Q15858 6/20 0.37
LMNA P02545 4/20 0.37
BRPF1 P55201 4/20 0.36
BRD1 O95696 3/20 0.36
BRD4 O60885 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
PARG Q86W56 1/20 0.36
BRPF3 Q9ULD4 1/20 0.36
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL4187951 0.90 ALDH1A1 (0.43) TP53ALDH1A1KDM4EPKMSCN9A
SCHEMBL4190288 0.90 ALDH1A1 (0.44) TP53ALDH1A1KDM4EPKMSCN9A
SCHEMBL4202091 0.90 ALDH1A1 (0.44) TP53ALDH1A1KDM4EPKMSCN9A
Cyclopentane SCHEMBL14348246 0.89 TP53 (0.45) TP53ALDH1A1KDM4EPKMLMNA
SCHEMBL4193118 0.87 BRPF1 (0.51) ALDH1A1KDM4EPKMSCN9ABRPF1
SCHEMBL4193183 0.86 BRPF1 (0.50) ALDH1A1KDM4EPKMSCN9ABRPF1
SCHEMBL4192303 0.86 BRPF1 (0.50) ALDH1A1KDM4EPKMSCN9ABRPF1
SCHEMBL4186036 0.78 POLB (0.52) TP53ALDH1A1KDM4EPKMLMNA
SCHEMBL4192891 0.77 POLB (0.52) TP53ALDH1A1KDM4EPKMLMNA
SCHEMBL4192565 0.76 KDM4E (0.47) TP53ALDH1A1KDM4EPKMLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP claimed
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US claimed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US claimed
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP disclosed
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US disclosed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 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-20090215764-A1 Antimicrobial agents TUFM, RPS17, HARS1 TP53 2324/4885ALDH1A1 2744/4885KDM4E 3328/4885

“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.