SCHEMBL5183149

SCHEMBL5183149

O=C1CN(c2cccc(C#CCCOCCCCCCBr)c2)C(=O)N1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.36
PPARD Q03181 9/20 0.36
PPARA Q07869 9/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
F2 P00734 2/20 0.32
F10 P00742 2/20 0.32
HPN P05981 2/20 0.32
PRSS1 P07477 2/20 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
SCHEMBL5182204 0.87 HTT (0.40) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL5183748 0.85 DDB1 (0.32) MEN1KMT2A
SCHEMBL5181167 0.84 BACE1 (0.33)
SCHEMBL5183453 0.77 GSK3A (0.43) KMT2A
SCHEMBL5180793 0.77 AR (0.32)
SCHEMBL5181101 0.74 ELANE (0.32)
SCHEMBL5184058 0.74 ELANE (0.30)
SCHEMBL5182743 0.74 ADRB2 (0.38) KDM4EMEN1KMT2AHTR2AHTR2C
SCHEMBL5182190 0.73 AR (0.32)
SCHEMBL5181473 0.73 PTPN2 (0.33)

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
EP-1366025-B1 AGONISTS OF BETA-ADRENORECEPTORS GLAXO GROUP LTD (GB) 2007-06-27 EP disclosed
US-7144908-B2 Agonists of beta-adrenoceptors GLAXO GROUP LIMITED (GB) 2006-12-05 US disclosed
US-20040242890-A1 Agonists of beta-adrenoceptors GLAXO GROUP LIMITED (GB) 2004-12-02 US 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-20040242890-A1 Agonists of beta-adrenoceptors ADRB1, ADRB2, ADRA1A PPARG 540/4885PPARD 368/4885PPARA 491/4885

“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.