SCHEMBL6090894

SCHEMBL6090894

O=C(O)c1ccc(C2NC(=O)c3cccc4c3N2CCC4=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
POLB P06746 3/20 0.34
TSHR P16473 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
JAK2 O60674 1/20 0.34
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
TNKS2 Q9H2K2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CA1 P00915 2/20 0.33
PARP1 P09874 2/20 0.33
CA2 P00918 1/20 0.33
SCN2A Q99250 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
APEX1 P27695 1/20 0.32

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
SCHEMBL6089877 0.84 PARP1 (0.39) ATMPOLBTSHRHTR2CHTR2B
SCHEMBL6091873 0.84 MEN1 (0.42) ATMPOLBHTR2CHTR2BTNKS2
SCHEMBL6089480 0.84 TNKS2 (0.42) POLBHTR2CHTR2BTNKS2ALDH1A1
SCHEMBL6091636 0.81 PARP1 (0.40) ATMHTR2CHTR2BTNKS2ALDH1A1
SCHEMBL6090229 0.81 ALDH1A1 (0.41) HTR2CHTR2BALDH1A1KDM4EPARP1
SCHEMBL6093050 0.79 TNKS2 (0.34) POLBTSHRHTR2CHTR2BTNKS2
SCHEMBL6090852 0.78 TSHR (0.40) POLBTSHRHTR2CHTR2BTNKS2
SCHEMBL6090378 0.78 KDM4E (0.36) ATMPOLBHTR2CHTR2BALDH1A1
SCHEMBL6091124 0.76 ALDH1A1 (0.44) ATMPOLBTSHRALDH1A1KDM4E
SCHEMBL6091386 0.76 KDM4E (0.40) TSHRALDH1A1KDM4EMEN1KMT2A

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-20060004028-A1 Novel PARP inhibitor MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1582520-A1 NOVEL PARP INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 EP 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-20060004028-A1 Novel PARP inhibitor PARP1, PARP2, PARP11 ATM 121/4885POLB 36/4885TSHR 4765/4885

“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.