SCHEMBL4265674

SCHEMBL4265674

COC(=O)c1ccc(C(=O)NNC(=O)c2cccc(-c3ncc(-c4ccc(OC)cc4)o3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 4/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
GAA P10253 3/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 2/20 0.51
GLA P06280 2/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTPN1 P18031 3/20 0.50
VDR P11473 2/20 0.49
ESR1 P03372 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
RXRA P19793 1/20 0.49
PPARG P37231 1/20 0.49

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
SCHEMBL4256560 0.91 PLAU (0.49) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL4266277 0.90 KDM4E (0.57) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL4261704 0.85 ALDH1A1 (0.55) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL4261815 0.85 PTPN1 (0.47) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL4256127 0.85 ALDH1A1 (0.54) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL4260464 0.84 ALDH1A1 (0.53) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL4257919 0.82 SMN1; SMN2 (0.58) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL29215197 0.79 NPC1 (0.57) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL4259275 0.79 RAB9A (0.53) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL3377076 0.79 RAB9A (0.68) ALDH1A1KDM4ERAB9AHPGDSMN1; 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 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 ALDH1A1 416/4885KDM4E 724/4885RAB9A 919/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 ALDH1A1 1358/4885KDM4E 2471/4885RAB9A 413/4885

“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.