SCHEMBL4262801

SCHEMBL4262801

CC(C)CC#Cc1cccc(-c2nnn(Cc3ccc(C(=O)O)cc3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
HDAC6 Q9UBN7 3/20 0.55
MMP13 P45452 11/20 0.52
TSHR P16473 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL4262326 0.87 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHDAC6MMP13
SCHEMBL4256694 0.86 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AHDAC6MMP13
SCHEMBL4257402 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHDAC6MMP13
SCHEMBL4254996 0.84 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHDAC6MMP13
SCHEMBL4263428 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHDAC6MMP13
SCHEMBL4261846 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHDAC6MMP13
SCHEMBL4262825 0.80 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHDAC6MMP13
SCHEMBL4263359 0.80 MMP13 (0.55) SMN1; SMN2NPC1RAB9AHDAC6MMP13
SCHEMBL4263454 0.80 MMP13 (0.54) SMN1; SMN2NPC1RAB9AHDAC6MMP13
SCHEMBL4259918 0.79 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHDAC6MMP13

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 5 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-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 SMN1; SMN2 2194/4885NPC1 1536/4885RAB9A 919/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 SMN1; SMN2 1617/4885NPC1 1391/4885RAB9A 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.