SCHEMBL4196663

SCHEMBL4196663

CC(CC1CCCCC1)NCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CNCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.46
HTR2B P41595 5/20 0.46
PNMT P11086 6/20 0.45
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39
HTR6 P50406 1/20 0.39
CCR9 P51686 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NMT1 P30419 1/20 0.38
PTGES2 Q9H7Z7 2/20 0.38

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
SCHEMBL4197345 0.97 HTR2C (0.46) HTR2CHTR2BPNMTKDM4EPKM
SCHEMBL4188166 0.97 HTR2C (0.46) HTR2CHTR2BPNMTKDM4EPKM
SCHEMBL4189894 0.96 HTR2C (0.46) HTR2CHTR2BPNMTKDM4EPKM
SCHEMBL4195571 0.87 PKM (0.44) HTR2CHTR2BKDM4EPKMLMNA
SCHEMBL4201904 0.82 PKM (0.56) PKMLMNAALDH1A1
SCHEMBL4184341 0.81 KDM4E (0.44) HTR2CHTR2BPNMTKDM4EPKM
SCHEMBL4184343 0.81 KDM4E (0.44) HTR2CHTR2BPNMTKDM4EPKM
SCHEMBL12050344 0.81 KDM4E (0.55) KDM4EPKMLMNAMAPTALDH1A1
SCHEMBL4202479 0.81 PKM (0.57) PKMLMNAALDH1A1
SCHEMBL4185954 0.81 PKM (0.43) KDM4EPKMLMNATP53MAPT

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 12 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
CN-101203504-B Antimicrobial agents RANBAXY LAB LTD 2012-11-14 CN 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
CN-101203504-A Antimicrobial agents RANBAXY LAB LTD (IN) 2008-06-18 CN claimed
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP disclosed
CN-101203504-B Antimicrobial agents RANBAXY LAB LTD 2012-11-14 CN 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
CN-101203504-A Antimicrobial agents RANBAXY LAB LTD (IN) 2008-06-18 CN disclosed
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 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-20090215764-A1 Antimicrobial agents TUFM, RPS17, HARS1 HTR2C 3898/4885HTR2B 3573/4885PNMT 1486/4885

“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.