SCHEMBL663556

SCHEMBL663556

c1ccc2[nH]c(C3CCN3C3CCCC3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
PKM P14618 2/20 0.47
HTR2B P41595 2/20 0.46
POLB P06746 1/20 0.44
TRPC3 Q13507 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ABCB11 O95342 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 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
SCHEMBL666428 0.99 PARP1 (0.56) PARP1BCHEACHEPKMHTR2B
SCHEMBL665125 0.97 PARP1 (0.54) PARP1BCHEACHEPKMHTR2B
SCHEMBL663316 0.92 PARP1 (0.49) PARP1PKMPOLBALDH1A1NPSR1
SCHEMBL666466 0.92 PARP1 (0.49) PARP1PKMPOLBALDH1A1NPSR1
SCHEMBL18536426 0.78 PARP1 (0.58) PARP1BCHEACHEPKM
SCHEMBL12890049 0.77 PARP1 (0.57) PARP1BCHEACHEPKMPOLB
SCHEMBL665549 0.77 PARP1 (0.57) PARP1BCHEACHEPKMPOLB
SCHEMBL15458224 0.77 BCHE (0.48) BCHEACHEPKMPOLBTRPC3
SCHEMBL663560 0.77 PARP1 (0.57) PARP1BCHEACHEPKMPOLB
SCHEMBL666506 0.77 PARP1 (0.57) PARP1PKMHTR2BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2012-02-23 US disclosed
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110151023-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2011-06-23 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 (3 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-20110151023-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885BCHE 4636/4885ACHE 4866/4885
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885BCHE 4636/4885ACHE 4866/4885
US-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885BCHE 4636/4885ACHE 4866/4885

“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.