SCHEMBL6090852

SCHEMBL6090852

CC(C)Oc1ccc(C2NC(=O)c3cccc4c3N2CCC4=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
GPR174 Q9BXC1 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TNKS2 Q9H2K2 1/20 0.33
OPRM1 P35372 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL6093050 0.91 TNKS2 (0.34) TSHRBRD4CREBBPGPR174GAA
SCHEMBL6092226 0.87 TNKS2 (0.45) GAAKMT2AMEN1KDM4EALDH1A1
SCHEMBL6090501 0.86 BRD4 (0.36) TSHRBRD4CREBBPGPR174GAA
SCHEMBL6090493 0.86 BRD4 (0.36) TSHRBRD4CREBBPGPR174GAA
SCHEMBL6089480 0.83 TNKS2 (0.42) GAACYP2C19POLBKMT2AMEN1
SCHEMBL6090523 0.82 TNKS2 (0.39) TSHRPOLBKMT2AMEN1HTR2C
SCHEMBL6089877 0.81 PARP1 (0.39) TSHRGPR174CYP2C19POLBKMT2A
SCHEMBL6091873 0.81 MEN1 (0.42) BRD4GAACYP2C19POLBKMT2A
SCHEMBL6090997 0.81 BRD4 (0.37) TSHRBRD4CREBBPGPR174GAA
SCHEMBL6089785 0.81 BRD4 (0.37) TSHRBRD4CREBBPGPR174GAA

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 TSHR 4765/4885BRD4 95/4885CREBBP 367/4885

“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.