SCHEMBL4261815

SCHEMBL4261815

COc1ccc(-c2cnc(-c3cccc(C(=O)NNC(=O)OC(C)(C)C)c3)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
KAT6A Q92794 1/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
PTPN2 P17706 2/20 0.41
GAA P10253 1/20 0.41
KDR P35968 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4265674 0.85 ALDH1A1 (0.51) PTPN1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4256127 0.83 ALDH1A1 (0.54) PTPN1ALDH1A1SMN1; SMN2KDM4EHPGD
Hydrochloric Acid SCHEMBL4260464 0.82 ALDH1A1 (0.53) PTPN1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4266277 0.81 KDM4E (0.57) PTPN1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4256185 0.80 MAPK1 (0.45) ALDH1A1SMN1; SMN2KDM4EHPGDMAPK1
SCHEMBL4257919 0.80 SMN1; SMN2 (0.58) PTPN1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4256560 0.79 PLAU (0.49) PTPN1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL1180099 0.74 KDM4E (0.68) PTPN1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4261704 0.73 ALDH1A1 (0.55) PTPN1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL13754826 0.73 HDAC8 (0.54) SMN1; SMN2KAT6ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
EP-1536784-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2004-03-11 US disclosed
WO-2004014366-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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 (2 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-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP2, MMP3 PTPN1 3046/4885ALDH1A1 416/4885SMN1; SMN2 2194/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 PTPN1 3433/4885ALDH1A1 1358/4885SMN1; SMN2 1617/4885

“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.