SCHEMBL3583563

SCHEMBL3583563

COc1ccccc1Cn1nc(N)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
IDO1 P14902 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3581904 0.83 HTR2C (0.47) PTGER1CYP1A2CYP2C19
SCHEMBL3579000 0.82 PTGER1 (0.50) PTGER1LMNASMN1; SMN2
SCHEMBL3186878 0.79 CYP1A2 (0.41) PTGER1MEN1KMT2AALDH1A1GAA
SCHEMBL13693179 0.78 PTGER1 (0.71) PTGER1MEN1KMT2APKMCYP1A2
SCHEMBL3186195 0.77 PTGDR2 (0.48) PTGER1MEN1KMT2AGAASMN1; SMN2
SCHEMBL24797862 0.75 PTGER1 (0.59) PTGER1MEN1KMT2APKMCYP1A2
SCHEMBL3572631 0.75 MEN1 (0.47) PTGER1MEN1KMT2APKMALDH1A1
SCHEMBL4803702 0.75 NPBWR1 (0.50) MEN1KMT2APKMALDH1A1GAA
SCHEMBL29158354 0.75 TLR7 (0.46) MEN1KMT2APKMALDH1A1GAA
SCHEMBL17627070 0.74 KDM4E (0.56) MEN1KMT2AALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048617-A1 COMPOUNDS SMITHKLINE BEECHAM CORP. 2010-02-25 US disclosed
US-20100048617-A1 COMPOUNDS SMITHKLINE BEECHAM CORP. 2010-02-25 US disclosed
US-20100048617-A1 COMPOUNDS SMITHKLINE BEECHAM CORP. 2010-02-25 US disclosed
EP-2102188-A2 COMPOUNDS SmithKline Beecham Corporation (US) 2009-09-23 EP disclosed
WO-2008074833-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 WO disclosed
WO-2008074833-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 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 (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-20100048617-A1 COMPOUNDS SCD, SCD5, CYP11B2 PTGER1 928/4885MEN1 3487/4885KMT2A 3757/4885

“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.