SCHEMBL3304809

SCHEMBL3304809

O=[C]NCc1ccc(-n2cccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
NOTUM Q6P988 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
LMNA P02545 3/20 0.46
CHRM1 P11229 2/20 0.45
CCNE1 P24864 3/20 0.43
CDK2 P24941 3/20 0.43
BRD4 O60885 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SCN9A Q15858 1/20 0.42
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL16781353 0.79 NOTUM (0.53) KDM4EALDH1A1MAPK1NOTUMDRD2
SCHEMBL17864343 0.79 NOTUM (0.53) KDM4EALDH1A1MAPK1NOTUMDRD2
SCHEMBL1032919 0.79 NOTUM (0.53) KDM4EALDH1A1MAPK1NOTUMDRD2
SCHEMBL18539214 0.79 NOTUM (0.53) KDM4EALDH1A1MAPK1NOTUMDRD2
SCHEMBL3304812 0.78 KDM4E (0.57) KDM4EALDH1A1MAPK1NOTUMDRD2
SCHEMBL23545613 0.76 KDM4E (0.51) KDM4EALDH1A1MAPK1NOTUMDRD2
SCHEMBL17469086 0.76 LMNA (0.55) KDM4EALDH1A1MAPK1NOTUMLMNA
SCHEMBL4341894 0.75 NOTUM (0.78) KDM4EALDH1A1MAPK1NOTUMDRD2
SCHEMBL14438268 0.75 NOTUM (0.49) KDM4EALDH1A1MAPK1NOTUMDRD2
SCHEMBL13478007 0.75 BRS3 (0.51) KDM4EALDH1A1MAPK1NOTUMDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 KDM4E 1419/4885ALDH1A1 469/4885MAPK1 711/4885

“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.