SCHEMBL1645181

SCHEMBL1645181

Cc1ccc(Sc2ccccc2C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.75
SLC6A2 P23975 2/20 0.75
SLC6A3 Q01959 2/20 0.75
GSTP1 P09211 1/20 0.57
GSTM2 P28161 1/20 0.57
LMNA P02545 5/20 0.57
KDM4E B2RXH2 4/20 0.57
MAPT P10636 5/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.53
PKM P14618 1/20 0.53
POLB P06746 3/20 0.53
BCL2L1 Q07817 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.49
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48

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
SCHEMBL1645802 0.86 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3LMNAKDM4E
SCHEMBL1643390 0.86 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3GSTP1GSTM2
SCHEMBL1645182 0.85 TXNRD1 (0.67) SLC6A4SLC6A2SLC6A3GSTP1GSTM2
SCHEMBL4003277 0.85 LMNA (0.68) SLC6A4SLC6A2SLC6A3GSTP1GSTM2
SCHEMBL29484401 0.85 TXNRD1 (0.67) SLC6A4SLC6A2SLC6A3GSTP1GSTM2
SCHEMBL25666699 0.84 SLC6A2 (0.58) SLC6A4SLC6A2SLC6A3LMNAKDM4E
SCHEMBL3183966 0.84 MAPT (0.72) SLC6A4SLC6A2SLC6A3GSTP1GSTM2
SCHEMBL2028311 0.84 SLC6A2 (0.68) SLC6A4SLC6A2SLC6A3GSTP1GSTM2
SCHEMBL17080274 0.84 LMNA (0.63) SLC6A4SLC6A2SLC6A3GSTP1GSTM2
SCHEMBL1645800 0.84 MAPT (0.60) SLC6A4SLC6A2SLC6A3GSTP1GSTM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110097274-A1 Carbon-11 and fluorine-18 labeled radioligands for positron emission tomography (PET) imaging for the brain serotonin transporters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-04-28 US disclosed
US-7671195-B2 Process for preparing dibenzothiazepine compounds ASTRAZENECA UK LIMITED (GB) 2010-03-02 US disclosed
US-7314930-B2 Process for preparing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2008-01-01 US disclosed
US-20070203336-A1 Process for preparing dibenzothiazepine compounds ASTRAZENECA UK LIMITED (GB) 2007-08-30 US disclosed
US-20060173178-A1 Process for preparing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2006-08-03 US disclosed
US-7045621-B1 Process for producing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2006-05-16 US disclosed
EP-1201663-A1 PROCESS FOR PRODUCING DIBENZOTHIAZEPINE DERIVATIVES Ube Industries, Ltd. (JP) 2002-05-02 EP 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 (3 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-20060173178-A1 Process for preparing dibenzothiazepine derivatives TPMT, BBOX1, NISCH SLC6A4 153/4885SLC6A2 797/4885SLC6A3 453/4885
US-20110097274-A1 Carbon-11 and fluorine-18 labeled radioligands for positron emission tomography (PET) imaging for the brain serotonin transporters SLC6A4, SLC18A2, SLC6A2 SLC6A4 1/4885SLC6A2 3/4885SLC6A3 6/4885
US-20070203336-A1 Process for preparing dibenzothiazepine compounds TST, ADH1C, ADH5 SLC6A4 436/4885SLC6A2 715/4885SLC6A3 1376/4885

“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.