SCHEMBL4507521

SCHEMBL4507521

[NH]C(=O)c1cccc2cccnc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.68
ALDH1A1 P00352 5/20 0.57
LMNA P02545 2/20 0.54
ALOX12 P18054 2/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 2/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MMP2 P08253 2/20 0.52
TSHR P16473 2/20 0.52
CHRM1 P11229 1/20 0.52
COMT P21964 1/20 0.52
ADRA1A P35348 1/20 0.52
METAP2 P50579 1/20 0.52
METAP1 P53582 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
KDM4E B2RXH2 4/20 0.50
MAPT P10636 2/20 0.50

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
SCHEMBL28050846 0.84 PARP1 (0.72) PARP1ALDH1A1LMNAALOX12NPC1
SCHEMBL111826 0.82 PARP1 (0.70) PARP1ALDH1A1LMNAALOX12NPC1
SCHEMBL29749881 0.82 PARP1 (0.70) PARP1ALDH1A1LMNAALOX12NPC1
SCHEMBL31120780 0.81 PARP1 (0.68) PARP1ALDH1A1LMNAALOX12NPC1
SCHEMBL460456 0.81 PARP1 (1.00) PARP1ALDH1A1LMNAALOX12NPC1
SCHEMBL15866503 0.81 PARP1 (0.68) PARP1ALDH1A1LMNAALOX12NPC1
SCHEMBL16859274 0.81 PARP1 (0.68) PARP1ALDH1A1LMNAALOX12NPC1
Hydrochloric Acid SCHEMBL7320778 0.81 PARP1 (0.68) PARP1ALDH1A1LMNAALOX12NPC1
SCHEMBL2632726 0.81 PARP1 (0.68) PARP1ALDH1A1LMNAALOX12NPC1
SCHEMBL1164312 0.81 PARP1 (0.68) PARP1ALDH1A1LMNAALOX12NPC1

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-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 PARP1 1615/4885ALDH1A1 2810/4885LMNA 878/4885

“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.