SCHEMBL4258690

SCHEMBL4258690

Cn1c(N2CCCC2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
HCAR3 P49019 5/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 3/20 0.47
GAA P10253 3/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL4254107 0.85 KDM4E (0.51) HDAC6MEN1KMT2AHSD17B10GAA
SCHEMBL12374636 0.82 SMN1; SMN2 (0.57) L3MBTL1MEN1KMT2AHSD17B10GAA
SCHEMBL5320022 0.78 ADORA2A (0.49) HDAC6MEN1KMT2APOLB
SCHEMBL1144927 0.77 HCAR3 (0.55) HDAC6L3MBTL1HCAR3HSD17B10HTT
SCHEMBL554569 0.77 HSD17B10 (0.64) L3MBTL1HCAR3MEN1KMT2AHSD17B10
SCHEMBL14160614 0.77 HSD11B1 (0.46) MEN1KMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL22121309 0.76 HCAR3 (0.54) HDAC6L3MBTL1HCAR3HSD17B10HTT
SCHEMBL6235131 0.76 ALDH1A1 (0.47) MEN1KMT2AHSD17B10GAAHTT
SCHEMBL5318291 0.76 L3MBTL1 (0.54) HDAC6L3MBTL1HCAR3HSD17B10GAA
SCHEMBL5320026 0.75 PTGER4 (0.47) L3MBTL1HCAR3POLB

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
WO-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO claimed
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US disclosed
EP-2097420-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Products Inc. (US) 2009-09-09 EP disclosed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed
WO-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 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 (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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB HDAC6 105/4885L3MBTL1 2534/4885HCAR3 661/4885

“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.