SCHEMBL793527

SCHEMBL793527

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
TDP1 Q9NUW8 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GPR35 Q9HC97 2/20 0.48
HPGD P15428 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 2/20 0.43
VCAM1 P19320 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL3328954 0.88 TDP1 (0.56) ALDH1A1TDP1L3MBTL1GPR35MEN1
SCHEMBL2071280 0.85 TDP1 (0.64) ALDH1A1TDP1L3MBTL1GPR35HPGD
Hydrochloric Acid SCHEMBL11156407 0.84 TDP1 (0.62) ALDH1A1TDP1L3MBTL1GPR35HPGD
SCHEMBL3503761 0.84 TDP1 (0.53) ALDH1A1TDP1L3MBTL1GPR35HPGD
SCHEMBL793981 0.84 TDP1 (0.49) ALDH1A1TDP1L3MBTL1GPR35HPGD
SCHEMBL7764416 0.81 TDP1 (0.50) ALDH1A1TDP1L3MBTL1GPR35HPGD
SCHEMBL9318978 0.81 TDP1 (0.50) ALDH1A1TDP1L3MBTL1GPR35MEN1
SCHEMBL27511511 0.81 VCAM1 (0.60) ALDH1A1TDP1L3MBTL1GPR35HPGD
SCHEMBL19972044 0.80 TDP1 (0.49) ALDH1A1TDP1L3MBTL1GPR35MEN1
SCHEMBL6655711 0.80 TDP1 (0.72) ALDH1A1TDP1L3MBTL1GPR35MEN1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117383995-A Chiral sulfinamide compound and preparation method and application thereof 贵州大学 2024-01-12 CN claimed
CN-117383995-A Chiral sulfinamide compound and preparation method and application thereof 贵州大学 2024-01-12 CN disclosed
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 US disclosed
CN-107531652-A Aromatic diamine, intermediate thereof, and processes for producing these 精化株式会社 2018-01-02 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
US-4404230-A ARTICIFIAL SWEETENERS DR. KARL THOMAE GMBH (DE) 1983-09-13 US disclosed
EP-0038458-A1 4-Hydroxy-1,2-benzisothiazol-3(2H)-one-1,1-dioxide, their salts, their preparation and their utilization Dr. Karl Thomae GmbH (DE) 1981-10-28 EP disclosed
US-4155905-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1979-05-22 US disclosed
US-4077967-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4061629-A 6-Amino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4061851-A 7-Amino-7-arylthio cephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4029669-A 6-Benzalimino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-06-14 US disclosed
US-4026886-A 7-Acyl-7-arylthiocephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-05-31 US disclosed
US-3965093-A 6-Arylthio penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1976-06-22 US disclosed
US-3954744-A ANTIBACTERIAL E. R. SQUIBB & SONS, INC. (US) 1976-05-04 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 ALDH1A1 1372/4885TDP1 364/4885L3MBTL1 3602/4885
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 ALDH1A1 544/4885TDP1 2382/4885L3MBTL1 2406/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R ALDH1A1 1372/4885TDP1 364/4885L3MBTL1 3602/4885

“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.