SCHEMBL1034874

SCHEMBL1034874

O=C(O)c1cccc2ncc(-c3ccccc3)nc12

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.62
ALDH1A1 P00352 2/20 0.58
PARP2 Q9UGN5 1/20 0.58
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PDE10A Q9Y233 1/20 0.50
DHODH Q02127 4/20 0.48
LDHA P00338 1/20 0.45
BCHE P06276 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL7039533 0.88 PARP1 (0.60) PARP1ALDH1A1PARP2
SCHEMBL7111338 0.88 PARP1 (0.80) PARP1ALDH1A1PARP2DHODH
SCHEMBL31353202 0.88 PARP1 (0.59) PARP1ALDH1A1PARP2SMN1; SMN2BCHE
SCHEMBL1033372 0.83 PARP1 (0.62) PARP1ALDH1A1PARP2KDM4ELMNA
SCHEMBL1034851 0.80 DHODH (0.55) PARP1PARP2KDM4ESMN1; SMN2DHODH
SCHEMBL1032829 0.79 CHRNB2 (0.61) PARP1ALDH1A1PARP2KDM4ESMN1; SMN2
SCHEMBL24186148 0.79 ALDH1A1 (0.59) PARP1ALDH1A1PARP2KDM4ELMNA
SCHEMBL31353532 0.78 AKT1 (0.45) PARP1PARP2KDM4ELMNALDHA
SCHEMBL9409728 0.78 PARP1 (0.48) PARP1ALDH1A1PARP2KDM4ESMN1; SMN2
SCHEMBL2629409 0.78 ALDH1A1 (0.57) PARP1ALDH1A1PARP2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-1998045272-A1 TOPOISOMERASE INHIBITORS LATROBE UNIVERSITY (AU) 1998-10-15 WO disclosed
US-5721248-A CALCIUM AGONISTS; TREATING CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-02-24 US disclosed
US-5545646-A CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1996-08-13 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 183/4885ALDH1A1 2326/4885PARP2 302/4885

“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.