SCHEMBL4194794

SCHEMBL4194794

C[C@@H](CC1CCCCCC1)NCc1cccnc1NS(=O)(=O)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.40
NFKBIA P25963 1/20 0.39
RELA Q04206 1/20 0.39
GLO1 Q04760 1/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
OPRK1 P41145 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.37
MMP2 P08253 2/20 0.37
CCR2 P41597 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL4197365 1.00 ALDH1A1 (0.41) ALDH1A1KDM4ENFKBIARELAGLO1
Cyclohexane SCHEMBL4197370 0.87 KDM4E (0.47) ALDH1A1KDM4ENFKBIARELAGLO1
Cycloheptane SCHEMBL4200303 0.87 KDM4E (0.47) ALDH1A1KDM4ENFKBIARELAGLO1
SCHEMBL4192695 0.85 NFKBIA (0.46) ALDH1A1KDM4ENFKBIARELAGLO1
SCHEMBL4198105 0.84 NPC1 (0.49) ALDH1A1KDM4ETP53HTTKMT2A
SCHEMBL4199654 0.83 NPC1 (0.50) ALDH1A1KDM4ETP53HTTKMT2A
SCHEMBL4204317 0.82 TSHR (0.41) ALDH1A1KDM4ENFKBIARELAGLO1
SCHEMBL4184314 0.82 EDNRA (0.38) ALDH1A1KDM4EGLO1LMNAKMT2A
SCHEMBL4189902 0.80 NPC1 (0.45) ALDH1A1KDM4ETP53GAACCR2
SCHEMBL4188364 0.80 POLB (0.35) LMNATP53NPC1

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 5 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-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 ALDH1A1 2744/4885KDM4E 3328/4885NFKBIA 1885/4885

“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.