SCHEMBL6090997

SCHEMBL6090997

CC(C)Oc1ccc([C@@H]2NC(=O)c3cccc4c3N2CC[C@H]4N)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.36
GPR174 Q9BXC1 1/20 0.35
PKM P14618 1/20 0.33
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR2A P28223 1/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL6089785 1.00 BRD4 (0.37) BRD4CREBBPTSHRKMT2APOLB
SCHEMBL6093007 0.92 PARP1 (0.33) BRD4CREBBPHTR2CHTR2BPARP1
SCHEMBL6090465 0.92 PARP1 (0.33) BRD4CREBBPHTR2CHTR2BPARP1
SCHEMBL6089125 0.89 KDM4E (0.42) TSHRKMT2AGAAMEN1KDM4E
SCHEMBL6092971 0.89 KDM4E (0.42) TSHRKMT2AGAAMEN1KDM4E
SCHEMBL6089444 0.89 KDM4E (0.42) TSHRKMT2AGAAMEN1KDM4E
SCHEMBL6091289 0.89 KDM4E (0.42) TSHRKMT2AGAAMEN1KDM4E
Hydrochloric Acid SCHEMBL6091722 0.88 KDM4E (0.41) TSHRKMT2AHTR2CHTR2BGAA
SCHEMBL6090392 0.86 TNKS2 (0.39) KMT2APOLBHTR2CHTR2BGAA
SCHEMBL6089696 0.86 TNKS2 (0.39) KMT2APOLBHTR2CHTR2BGAA

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 BRD4 95/4885CREBBP 367/4885TSHR 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.