SCHEMBL3300702

SCHEMBL3300702

O=[N+]([O-])c1ccc2ncn(-c3ncccn3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.70
ALDH1A1 P00352 6/20 0.55
HTT P42858 3/20 0.54
HPGD P15428 2/20 0.49
MAPT P10636 3/20 0.49
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALOX5 P09917 1/20 0.43
PKM P14618 1/20 0.43
BRD4 O60885 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP3A4 P08684 1/20 0.42
NAMPT P43490 1/20 0.42
XDH P47989 1/20 0.42
MITF O75030 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
SCHEMBL3296982 0.88 ALDH1A1 (0.70) FGFR1ALDH1A1HTTHPGDMAPT
SCHEMBL19911376 0.82 FGFR1 (1.00) FGFR1ALDH1A1HTTHPGDMAPT
SCHEMBL19911396 0.81 FGFR1 (0.77) FGFR1ALDH1A1HTTHPGDMAPT
SCHEMBL31099427 0.77 FGFR1 (0.75) FGFR1ALDH1A1HTTHPGDMAPT
SCHEMBL29193526 0.77 FGFR1 (0.66) FGFR1ALDH1A1HTTHPGDMAPT
SCHEMBL8337275 0.75 FGFR1 (0.60) FGFR1ALDH1A1HTTHPGDMAPT
SCHEMBL1489409 0.75 L3MBTL1 (0.66) FGFR1ALDH1A1HTTHPGDMAPT
SCHEMBL19911399 0.75 FGFR1 (0.60) FGFR1ALDH1A1HTTHPGDMAPT
SCHEMBL8425553 0.75 FGFR1 (0.60) FGFR1ALDH1A1HTTHPGDMAPT
SCHEMBL2160267 0.75 FGFR1 (0.60) FGFR1ALDH1A1HTTHPGDMAPT

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 FGFR1 1825/4885ALDH1A1 1848/4885HTT 2814/4885

“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.