SCHEMBL793494

SCHEMBL793494

NC(=O)c1c(Cl)cccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CXCR1 P25024 1/20 0.49
CXCR2 P25025 1/20 0.49
TSHR P16473 2/20 0.44
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
PBRM1 Q86U86 1/20 0.43
F2R P25116 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.40
FEN1 P39748 1/20 0.40
PARP1 P09874 2/20 0.39
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 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
SCHEMBL9003830 0.84 PARP1 (0.46) ALDH1A1CXCR1CXCR2TSHRHPGD
SCHEMBL320037 0.84 ALDH1A1 (0.61) ALDH1A1TSHRNPC1GLAHPGD
SCHEMBL29008206 0.82 ALDH1A1 (0.58) ALDH1A1TSHRNPC1GLAHPGD
SCHEMBL2844436 0.81 ALDH1A1 (0.71) ALDH1A1CXCR1CXCR2TSHRNPC1
SCHEMBL696250 0.81 ALDH1A1 (0.52) ALDH1A1TSHRNPC1GLAHPGD
SCHEMBL8262560 0.79 ALDH1A1 (0.50) ALDH1A1TSHRNPC1GLAHPGD
SCHEMBL11847260 0.79 L3MBTL1 (0.44) ALDH1A1CXCR1CXCR2NPC1GLA
Hydrochloric Acid SCHEMBL7952153 0.79 ALDH1A1 (0.50) ALDH1A1TSHRNPC1GLAHPGD
SCHEMBL18938848 0.78 POLB (0.40) ALDH1A1CXCR1CXCR2TSHRNPC1
SCHEMBL22904424 0.77 CA1 (0.48) ALDH1A1CXCR1CXCR2TSHRHPGD

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-116003294-A New synthesis method of medical intermediate 2-bromo-6-chlorobenzonitrile 常州大学 2023-04-25 CN claimed
CN-116003294-A New synthesis method of medical intermediate 2-bromo-6-chlorobenzonitrile 常州大学 2023-04-25 CN disclosed
CN-116003294-A New synthesis method of medical intermediate 2-bromo-6-chlorobenzonitrile 常州大学 2023-04-25 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-0594179-B1 N-alkoxymethyl benzamide derivative and manufacturing method therefor, and manufacturing method for benzamide derivative using this N-alkoxymethyl benzamide derivate YASHIMA KAGAKU KOGYO KK (JP) 1996-09-25 EP disclosed
US-5354905-A N-alkoxymethyl benzamide derivative and manufacturing method therefor, and manufacturing method for benzamide derivative using this N-alkoxymethyl benzamide derivative YASHIMA CHEMICAL INDUSTRY CO., LTD. (JP) 1994-10-11 US disclosed
EP-0594179-A1 N-alkoxymethyl benzamide derivative and manufacturing method therefor, and manufacturing method for benzamide derivative using this N-alkoxymethyl benzamide derivate YASHIMA CHEMICAL INDUSTRY CO., LTD. (JP) 1994-04-27 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 (2 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 1372/4885CXCR1 366/4885CXCR2 537/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R ALDH1A1 1372/4885CXCR1 366/4885CXCR2 537/4885

“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.