SCHEMBL793981

SCHEMBL793981

NC(=O)c1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GPR35 Q9HC97 2/20 0.47
HPGD P15428 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
VCAM1 P19320 1/20 0.42
TSHR P16473 1/20 0.42
PLAU P00749 1/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42

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
SCHEMBL6807284 0.87 GPR35 (0.61) TDP1L3MBTL1GPR35ALDH1A1SMN1; SMN2
SCHEMBL11852317 0.84 GPR35 (0.46) TDP1L3MBTL1GPR35HPGDKMT2A
SCHEMBL793527 0.84 ALDH1A1 (0.61) TDP1L3MBTL1GPR35HPGDKMT2A
SCHEMBL2071280 0.84 TDP1 (0.64) TDP1L3MBTL1GPR35HPGDKMT2A
Hydrochloric Acid SCHEMBL11156407 0.82 TDP1 (0.62) TDP1L3MBTL1GPR35HPGDKMT2A
SCHEMBL3503761 0.82 TDP1 (0.53) TDP1L3MBTL1GPR35HPGDKMT2A
SCHEMBL12491961 0.81 ALDH1A1 (0.46) GPR35KMT2AMEN1ALDH1A1NPC1
SCHEMBL2892615 0.80 GPR35 (0.56) TDP1L3MBTL1GPR35POLBMAPT
SCHEMBL1315874 0.80 TDP1 (0.50) TDP1L3MBTL1GPR35ALDH1A1CYP3A4
SCHEMBL11328396 0.80 TDP1 (0.50) TDP1L3MBTL1GPR35KMT2AMEN1

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
CN-102584919-B 4''-O-carbamate clarithromycin derivative with electron withdrawing group substituted terminal, preparation method for intermediate of derivative and application of derivative UNIV SHANDONG 2014-12-10 CN disclosed
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-8697708-B2 Azabenzothiazole compounds, compositions and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-04-15 US disclosed
EP-2616072-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-07-24 EP disclosed
CN-103209695-A Azabenzothiazole compounds, compositions and methods of use HOFFMANN LA ROCHE 2013-07-17 CN disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed
EP-1846410-B1 DIHYDROQUINAZOLINONES AS 5HT MODULATORS BRISTOL MYERS SQUIBB CO (US) 2009-01-21 EP disclosed
EP-1846410-A2 DIHYDROQUINAZOLINONES AS 5HT MODULATORS Bristol-Myers Squibb Company (US) 2007-10-24 EP disclosed
US-7238702-B2 Dihydroquinazolinones as 5HT modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
WO-2006086464-A2 DIHYDROQUINAZOLINONES AS 5HT MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-17 WO disclosed
US-20060178386-A1 Dihydroquinazolinones as 5HT modulators BRISTOL-MYERS SQUIBB COMPANY 2006-08-10 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 (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-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TDP1 364/4885L3MBTL1 3602/4885GPR35 305/4885
US-20060178386-A1 Dihydroquinazolinones as 5HT modulators HTR3B, HTR2C, HTR2B TDP1 4087/4885L3MBTL1 4178/4885GPR35 82/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TDP1 364/4885L3MBTL1 3602/4885GPR35 305/4885

“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.