SCHEMBL4256795

SCHEMBL4256795

O=C(O)c1cc(-c2cc[nH]n2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.52
GRIK1 P39086 1/20 0.49
GRIA1 P42261 1/20 0.49
GRIA2 P42262 1/20 0.49
GRIA3 P42263 1/20 0.49
GRIA4 P48058 1/20 0.49
GRIK2 Q13002 1/20 0.49
GRIK3 Q13003 1/20 0.49
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTGER1 P34995 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 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
SCHEMBL6622908 0.88 XDH (0.52) XDHALDH1A1KMODHODHCA12
SCHEMBL4503149 0.83 ACMSD (0.53) XDHTDP1MEN1KMT2ACA12
SCHEMBL4515506 0.81 KMO (0.40) KMOCA12ALPL
SCHEMBL4260262 0.80 CYP4F2 (0.52) ALDH1A1POLBMAPTKDM4ENPC1
SCHEMBL23535854 0.78 BTK (0.45) KMOCA12ALPL
SCHEMBL1829344 0.78 AHR (0.50) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL2771204 0.77 ALDH1A1 (0.68) XDHGRIK1GRIA1GRIA2GRIA3
SCHEMBL4472392 0.77 XDH (0.58) XDHGRIK1GRIA1GRIA2GRIA3
SCHEMBL4471895 0.76 P2RX7 (0.57) XDHGRIK1GRIA1GRIA2GRIA3
SCHEMBL19029524 0.75 GRIK1 (0.56) XDHGRIK1GRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US disclosed
CN-101541809-A Spiroketone acetyl-CoA carboxylase inhibitors PFIZER PROD INC (US) 2009-09-23 CN 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

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 XDH 2643/4885GRIK1 911/4885GRIA1 1937/4885

“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.