SCHEMBL6090501

SCHEMBL6090501

CON=C1CCN2c3c(cccc31)C(=O)NC2c1ccc(OC(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35
GPR174 Q9BXC1 1/20 0.34
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
MEN1 O00255 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL6090493 1.00 BRD4 (0.36) BRD4CREBBPTSHRPOLBGPR174
SCHEMBL6090852 0.86 TSHR (0.40) BRD4CREBBPTSHRPOLBGPR174
SCHEMBL6089041 0.83 ESR1 (0.36) KMT2AGAAHCRTR1HCRTR2TNKS2
SCHEMBL6089038 0.83 ESR1 (0.36) KMT2AGAAHCRTR1HCRTR2TNKS2
SCHEMBL6090911 0.82 MEN1 (0.40) POLBKMT2AGAAMEN1KDM4E
SCHEMBL6090917 0.82 MEN1 (0.40) POLBKMT2AGAAMEN1KDM4E
SCHEMBL6090262 0.82 HTR2C (0.31) BRD4CREBBPTNKS2HTR2CHTR2B
SCHEMBL6090872 0.82 PARP1 (0.39) GAAKDM4EALDH1A1
SCHEMBL6091800 0.81 ALDH1A1 (0.44) KMT2AGAAPKMKDM4EALDH1A1
SCHEMBL6091794 0.81 ALDH1A1 (0.44) KMT2AGAAPKMKDM4EALDH1A1

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.