SCHEMBL1797123

SCHEMBL1797123

N#Cc1csc([N+](=O)[O-])c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.37
GPR35 Q9HC97 2/20 0.37
MAPT P10636 5/20 0.33
GRIA1 P42261 2/20 0.33
GRIA2 P42262 2/20 0.33
GRIA3 P42263 2/20 0.33
GRIA4 P48058 2/20 0.33
GRM6 O15303 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
XDH P47989 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 4/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL18430405 0.78 GRIN2D (0.38) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL14305192 0.78 VCAM1 (0.37) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL18430522 0.78 VCAM1 (0.42) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL3710683 0.76 GSK3B (0.33) CYP1A2ALDH1A1
SCHEMBL1799467 0.73 IDO1 (0.34) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL3709250 0.72 METAP1 (0.37) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL18430519 0.71 ALDH1A1 (0.35) VCAM1MAPTGRM6HPGDTDP1
SCHEMBL17886205 0.71 CYP1A2 (0.41) MAPTCYP1A2HPGDTDP1ALDH1A1
SCHEMBL3787495 0.70 GRM6 (0.32) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL18430443 0.69 SMN1; SMN2 (0.40) MAPTXDHPOLBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2022-03-17 US disclosed
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-09-03 US disclosed
US-10655091-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2020-05-19 US disclosed
US-20200039972-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-02-06 US disclosed
US-20190345415-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2019-11-14 US disclosed
US-10435651-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2019-10-08 US disclosed
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2019-06-27 US disclosed
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-11-08 US disclosed
US-20180066215-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2018-03-08 US disclosed
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-02-08 US disclosed
US-20100120753-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2010-05-13 US disclosed
US-20100120753-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2010-05-13 US disclosed
US-7662958-B2 e.g. N-[3-{1-[(cyclobutyl)amino]-4-hydroxy-2-oxo-1,2-dihydro-quinolin -3-yl}-1,1-dioxo-1,4-dihydro-1 lambda 6-thieno[2,3-e][1,2,4]thiadiazin-7-yl)methyl]methane-sulfonamide; viricides for infections caused by an RNA-containing virus; hepatitis C virus (HCV) polymerase inhibitor; liver cirrhosis ABBVIE INC. 2010-02-16 US disclosed
US-7662958-B2 e.g. N-[3-{1-[(cyclobutyl)amino]-4-hydroxy-2-oxo-1,2-dihydro-quinolin -3-yl}-1,1-dioxo-1,4-dihydro-1 lambda 6-thieno[2,3-e][1,2,4]thiadiazin-7-yl)methyl]methane-sulfonamide; viricides for infections caused by an RNA-containing virus; hepatitis C virus (HCV) polymerase inhibitor; liver cirrhosis ABBVIE INC. 2010-02-16 US disclosed
US-7662958-B2 e.g. N-[3-{1-[(cyclobutyl)amino]-4-hydroxy-2-oxo-1,2-dihydro-quinolin -3-yl}-1,1-dioxo-1,4-dihydro-1 lambda 6-thieno[2,3-e][1,2,4]thiadiazin-7-yl)methyl]methane-sulfonamide; viricides for infections caused by an RNA-containing virus; hepatitis C virus (HCV) polymerase inhibitor; liver cirrhosis ABBVIE INC. 2010-02-16 US disclosed
US-20080214528-A1 ANTI-INFECTIVE AGENTS ABBVIE INC. 2008-09-04 US disclosed
US-20080214528-A1 ANTI-INFECTIVE AGENTS ABBVIE INC. 2008-09-04 US disclosed
US-20080214528-A1 ANTI-INFECTIVE AGENTS ABBVIE INC. 2008-09-04 US disclosed
WO-2008011337-A1 HCV INHIBITORS ABBOTT LABORATORIES (US) 2008-01-24 WO disclosed
WO-2008011337-A1 HCV INHIBITORS ABBOTT LABORATORIES (US) 2008-01-24 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 (8 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-20200039972-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 VCAM1 3587/4885GPR35 2967/4885MAPT 51/4885
US-20190194176-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 VCAM1 3587/4885GPR35 2967/4885MAPT 51/4885
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 VCAM1 3587/4885GPR35 2967/4885MAPT 51/4885
US-20080214528-A1 ANTI-INFECTIVE AGENTS NQO2, RSU1, RRS1 VCAM1 1459/4885GPR35 2884/4885MAPT 3818/4885
US-20100120753-A1 Anti-Infective Agents RSU1, NQO2, RRS1 VCAM1 1502/4885GPR35 3019/4885MAPT 3556/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 VCAM1 3587/4885GPR35 2967/4885MAPT 51/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 VCAM1 3587/4885GPR35 2967/4885MAPT 51/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 VCAM1 3587/4885GPR35 2967/4885MAPT 51/4885

“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.