SCHEMBL6503987

SCHEMBL6503987

COC(=O)c1ccc2nc(C)n(Cc3cc4nc(C)n(C)c4cc3Cl)c2n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAPT P10636 7/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.39
DCTPP1 Q9H773 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PPARG P37231 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
CHRM4 P08173 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6500315 0.89 DCTPP1 (0.40) KDM4EMAPTNPC1RAB9ALMNA
SCHEMBL6502603 0.87 KDM4E (0.43) KDM4EMAPTNPC1RAB9ALMNA
SCHEMBL6299473 0.84 ALDH1A1 (0.43) KDM4EMAPTNPC1RAB9ADCTPP1
SCHEMBL6299133 0.84 MAPT (0.38) KDM4EMAPTNPC1RAB9ALMNA
SCHEMBL6504716 0.84 KDM4E (0.39) KDM4EMAPTNPC1RAB9ALMNA
SCHEMBL6300374 0.83 PPARG (0.47) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL6305523 0.83 MAPT (0.41) KDM4EMAPTNPC1RAB9ALMNA
SCHEMBL6501139 0.83 KDM4E (0.38) KDM4EMAPTNPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL6503406 0.83 KDM4E (0.42) KDM4EMAPTNPC1RAB9ADCTPP1
SCHEMBL6299292 0.82 MAPT (0.41) KDM4EMAPTNPC1RAB9ALMNA

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 KDM4E 1599/4885MAPT 4144/4885NPC1 4422/4885

“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.