SCHEMBL3300178

SCHEMBL3300178

O=[N+]([O-])c1ccc2c(ccn2-c2ccc(Cl)nn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
GAA P10253 1/20 0.52
CDC7 O00311 1/20 0.45
SLC6A2 P23975 1/20 0.44
CYP19A1 P11511 1/20 0.41
GLS O94925 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
AGTR1 P30556 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR3E A5X5Y0 1/20 0.36

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
SCHEMBL3300300 0.81 CDC7 (0.43) CDC7SLC6A2CYP19A1GLSALDH1A1
SCHEMBL3298855 0.81 CDC7 (0.47) MAPTCDC7SLC6A2CYP19A1GLS
SCHEMBL3294780 0.79 ALDH1A1 (0.60) MAPTGAAALDH1A1LMNAHTR3E
SCHEMBL31735769 0.79 CDC7 (0.48) MAPTCDC7SLC6A2CYP19A1GLS
SCHEMBL3297325 0.78 CDC7 (0.59) CDC7SLC6A2CYP19A1GLSALDH1A1
SCHEMBL3305437 0.77 CDC7 (0.42) MAPTGAACDC7SLC6A2CYP19A1
SCHEMBL3300026 0.77 L3MBTL1 (0.41) MAPTCDC7SLC6A2CYP19A1GLS
SCHEMBL13391026 0.77 CDC7 (0.42) MAPTCDC7SLC6A2CYP19A1GLS
SCHEMBL3303218 0.76 VCAM1 (0.45) MAPTGAACDC7SLC6A2CYP19A1
SCHEMBL3298701 0.75 RPS6KA5 (0.48) MAPTCDC7SLC6A2CYP19A1GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (1 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 MAPT 947/4885GAA 67/4885CDC7 4322/4885

“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.