SCHEMBL6492086

SCHEMBL6492086

O=[N+]([O-])c1ccc(Br)nc1NCc1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 11/20 0.43
MAPT P10636 4/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK8 P45983 1/20 0.41
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2D6 P10635 2/20 0.39
DCLK1 O15075 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
CDK2 P24941 1/20 0.39
MATK P42679 1/20 0.39
FRK P42685 1/20 0.39
CSNK1D P48730 1/20 0.39
CLK2 P49760 1/20 0.39

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
SCHEMBL27576242 0.90 MAPT (0.41) PRKCQMAPTMAPK1NPC1RAB9A
SCHEMBL6493701 0.81 PDE5A (0.43) MAPK1MAPK8CYP3A4ALDH1A1PDE5A
SCHEMBL17807848 0.77 EGFR (0.52) PRKCQMAPTMAPK1NPC1RAB9A
SCHEMBL1513210 0.74 MAPT (0.56) PRKCQMAPTMAPK1L3MBTL1NPC1
SCHEMBL6301015 0.74 EIF4E (0.35) ALDH1A1ABCG2
SCHEMBL27576243 0.71 MAPT (0.46) PRKCQMAPTNPC1RAB9ACYP3A4
SCHEMBL9251355 0.71 TSHR (0.58) MAPTMAPK1ALDH1A1ABCG2ABCB1
SCHEMBL27576237 0.70 JAK2 (0.36) MAPK1NPC1RAB9ACYP3A4ALDH1A1
SCHEMBL28653082 0.69 PGK1 (0.49) MAPTMAPK1L3MBTL1ALDH1A1POLB
SCHEMBL2572184 0.68 GSK3B (0.58) MAPTMAPK1L3MBTL1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 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 (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-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A PRKCQ 448/4885MAPT 4144/4885MAPK1 434/4885

“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.