SCHEMBL1144673

SCHEMBL1144673

CC(=O)c1nn(Cc2ccccc2)cc1O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
CACNA1G O43497 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 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
SCHEMBL17970907 0.90 PARP1 (0.42) PARP1SMN1; SMN2LMNATSHRGAA
SCHEMBL19805493 0.84 HDAC1 (0.51) PARP1SMN1; SMN2LMNATSHRGAA
SCHEMBL19805491 0.83 RIPK1 (0.48) PARP1SMN1; SMN2LMNATSHRGAA
SCHEMBL899018 0.82 AADAT (0.45) SMN1; SMN2GAAKMT2AHDAC1MEN1
SCHEMBL16578557 0.80 ALDH1A1 (0.44) PARP1LMNATSHRGAAKMT2A
SCHEMBL23401265 0.77 SCD (0.45) PARP1SMN1; SMN2LMNATSHRKMT2A
SCHEMBL1144980 0.76 NPC1 (0.47) SMN1; SMN2LMNAGAAKMT2AMEN1
SCHEMBL15555838 0.76 PTGER1 (0.58) PARP1SMN1; SMN2LMNATSHRGAA
SCHEMBL17970920 0.76 ADORA2A (0.44) LMNAALDH1A1ADORA3POLB
SCHEMBL14343418 0.75 KLKB1 (0.53) PARP1SMN1; SMN2LMNATSHRGAA

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
EP-2297163-B1 Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER (US) 2015-07-08 EP disclosed
US-8318762-B2 Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2012-11-27 US disclosed
EP-2297163-A1 PYRAZOLOSPIROKETONE ACETYL-C0A CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2011-03-23 EP disclosed
US-20110028390-A1 Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER, INC. (US) 2011-02-03 US disclosed
WO-2009144554-A1 PYRAZOLOSPIROKETONE ACETYL-C0A CARBOXYLASE INHIBITORS PFIZER, INC. (US) 2009-12-03 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-20110028390-A1 Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB PARP1 1002/4885SMN1; SMN2 3903/4885LMNA 3535/4885

“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.