SCHEMBL12880985

SCHEMBL12880985

CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3ccc4cccc(C(=O)NC5CCCC5)c4n3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
USP30 Q70CQ3 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.42
PIK3CD O00329 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL1034423 0.88 GPR119 (0.46) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL12880950 0.83 PARP1 (0.50) PARP1MEN1KMT2AALDH1A1USP30
SCHEMBL1033993 0.82 CNR2 (0.42) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1035375 0.79 CNR2 (0.41) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL23360639 0.75 PARP1 (0.59) PARP1MEN1KMT2AALDH1A1USP30
SCHEMBL29933507 0.75 PARP1 (0.59) PARP1MEN1KMT2AALDH1A1USP30
SCHEMBL1035236 0.73 MAPT (0.50) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL7455853 0.72 GPR119 (0.59) MEN1KMT2AALDH1A1USP30
SCHEMBL1809399 0.71 GPR119 (0.57) MEN1KMT2AUSP30
SCHEMBL30876497 0.71 GPR119 (0.57) MEN1KMT2AUSP30

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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 183/4885MEN1 2841/4885KMT2A 997/4885

“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.