SCHEMBL3298701

SCHEMBL3298701

O=[N+]([O-])c1ccc2c(ccn2-c2nccc(Cl)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 2/20 0.48
RPS6KA4 O75676 2/20 0.48
CDC7 O00311 1/20 0.47
SLC6A2 P23975 1/20 0.46
ALDH1A1 P00352 3/20 0.40
CYP19A1 P11511 1/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FGFR1 P11362 1/20 0.38
GLS O94925 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37
MAOB P27338 1/20 0.37
NOS1 P29475 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL31735926 0.85 SLC6A2 (0.51) RPS6KA5CDC7SLC6A2ALDH1A1CYP19A1
SCHEMBL28565495 0.85 SLC6A2 (0.51) RPS6KA5CDC7SLC6A2ALDH1A1CYP19A1
SCHEMBL3297325 0.80 CDC7 (0.59) RPS6KA5CDC7SLC6A2ALDH1A1CYP19A1
SCHEMBL3301121 0.78 CDC7 (0.44) CDC7SLC6A2ALDH1A1CYP19A1MAPT
SCHEMBL13391073 0.77 MKNK2 (0.49) CDC7SLC6A2CYP19A1MAPTGLS
SCHEMBL3298855 0.77 CDC7 (0.47) CDC7SLC6A2ALDH1A1CYP19A1MAPT
SCHEMBL3300178 0.75 MAPT (0.52) CDC7SLC6A2ALDH1A1CYP19A1MAPT
SCHEMBL20357971 0.74 CDC7 (0.81) CDC7
SCHEMBL716278 0.74 SLC6A2 (0.61) CDC7SLC6A2ALDH1A1CYP19A1MAPT
SCHEMBL17671266 0.74 MEN1 (0.38) CDC7SLC6A2ALDH1A1MAPTRAB9A

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 RPS6KA5 443/4885RPS6KA4 517/4885CDC7 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.