SCHEMBL1128718

SCHEMBL1128718

CC(C)N(c1ccc(C(N)=O)cc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.50
CA2 P00918 3/20 0.45
PARP4 Q9UKK3 2/20 0.45
PARP1 P09874 2/20 0.45
CA1 P00915 2/20 0.45
PARP2 Q9UGN5 1/20 0.45
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 3/20 0.43
PARP15 Q460N3 2/20 0.43
KMT2A Q03164 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP16 Q8N5Y8 1/20 0.43
PARP11 Q9NR21 1/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL2497217 0.83 HPGD (0.58) ALDH1A1MAPTHPGD
SCHEMBL7790315 0.82 PARP10 (0.48) PARP10CA2PARP4PARP1CA1
SCHEMBL925065 0.81 TSHR (0.52) CA2CA1ALDH1A1KMT2ATSHR
SCHEMBL960521 0.79 MPO (0.52) CA2CA1ALDH1A1KMT2AMAPT
SCHEMBL2852148 0.77 MAPT (0.49) PARP10CA2PARP4PARP1CA1
SCHEMBL20438385 0.76 ALDH1A1 (0.39) HSD17B10ALDH1A1TSHRCYP3A4TDP1
Hydrochloric Acid SCHEMBL4867978 0.76 MAPT (0.48) PARP10CA2PARP4PARP1CA1
SCHEMBL632045 0.76 ALDH1A1 (0.67) PARP10CA2PARP4PARP1CA1
Bicarbonate SCHEMBL6665758 0.75 ALDH1A1 (0.43) ALDH1A1TSHRMAPTL3MBTL1CYP3A4
SCHEMBL2882577 0.75 NPSR1 (0.54) PARP10CA2PARP4PARP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153803-B2 Compositions and methods for modulating sirtuin activity THE GENERAL HOSPITAL CORPORATION (US) 2012-04-10 US disclosed
US-20090259044-A1 COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY THE GENERAL HOSPITAL CORPORATION (US) 2009-10-15 US 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-20090259044-A1 COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY SIRT2, SIRT1, SIRT3 PARP10 175/4885CA2 3490/4885PARP4 757/4885

“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.