SCHEMBL552144

SCHEMBL552144

OB(O)c1ccc(CNC2CCCC2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
USP2 O75604 1/20 0.41
PABPC1 P11940 1/20 0.40
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
HDAC1 Q13547 1/20 0.37
CHEK1 O14757 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 3/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CXCL12 P48061 1/20 0.34

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
SCHEMBL552041 0.93 TSHR (0.37) HRH3USP2PABPC1GLAHTT
SCHEMBL552450 0.75 MEN1 (0.39) TSHRTP53CXCR4
SCHEMBL3360573 0.73 PRMT6 (0.52) HRH3USP2PABPC1GLAHTT
SCHEMBL19743437 0.71 HRH3 (0.62) HRH3PABPC1GLAHTTNPSR1
SCHEMBL6227853 0.70 HRH3 (0.66) HRH3USP2PABPC1POLBHDAC1
SCHEMBL8806716 0.69 KDM1A (0.48) HRH3USP2GLAHTTNPSR1
SCHEMBL21311973 0.67 PRMT6 (0.57) NPSR1RXFP1ALDH1A1NPC1TP53
SCHEMBL29065015 0.67 RXFP1 (0.41) HRH3USP2GLAHTTNPSR1
SCHEMBL553203 0.67 HRH3 (0.42) HRH3POLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL20606159 0.67 ALDH1A1 (0.56) HRH3PABPC1GLAHTTNPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 WO 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 (2 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA HRH3 568/4885USP2 110/4885PABPC1 4142/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA HRH3 568/4885USP2 110/4885PABPC1 4142/4885

“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.