SCHEMBL6502504

SCHEMBL6502504

COC(=O)c1ccc2nc(C)n(Cc3ccc(-c4ccco4)cc3Cl)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HPGD P15428 5/20 0.45
KDM4E B2RXH2 5/20 0.45
NR4A2 P43354 1/20 0.39
NOTUM Q6P988 1/20 0.39
MAPT P10636 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 3/20 0.37
GAA P10253 2/20 0.37
AXL P30530 1/20 0.36
CDK9 P50750 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
ADORA3 P0DMS8 2/20 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
SCHEMBL6503942 0.90 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL6503451 0.87 HPGD (0.44) ALDH1A1HPGDKDM4ENR4A2NOTUM
SCHEMBL6299688 0.86 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL6490813 0.83 PTGS2 (0.41) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL6300374 0.83 PPARG (0.47) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL6305523 0.83 MAPT (0.41) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL6492336 0.82 PPARG (0.52) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL6299122 0.82 NR4A2 (0.39) ALDH1A1HPGDKDM4ENR4A2MAPT
SCHEMBL6299292 0.82 MAPT (0.41) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL6492364 0.82 PPARG (0.55) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2

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 ALDH1A1 476/4885HPGD 1182/4885KDM4E 1599/4885

“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.