SCHEMBL4249807

SCHEMBL4249807

COC(=O)c1ccccc1-c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
TSHR P16473 2/20 0.52
SLC6A3 Q01959 4/20 0.51
SLC6A4 P31645 3/20 0.51
KDM4E B2RXH2 5/20 0.51
MAPT P10636 5/20 0.51
HSD17B10 Q99714 3/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.49
SLC6A2 P23975 1/20 0.49
LMNA P02545 1/20 0.49
NR4A2 P43354 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CFTR P13569 1/20 0.47

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
SCHEMBL11271816 0.92 KMT2A (0.48) KMT2AMEN1TSHRSLC6A3SLC6A4
SCHEMBL22261511 0.86 ALDH1A1 (0.53) KMT2AMEN1TSHRKDM4EMAPT
SCHEMBL1610957 0.85 KMT2A (0.55) KMT2AMEN1TSHRKDM4EMAPT
SCHEMBL7130530 0.84 SLC6A4 (0.47) KMT2AMEN1TSHRSLC6A3SLC6A4
SCHEMBL27294758 0.83 HCRTR1 (0.40) KMT2AMEN1TSHRKDM4EMAPT
SCHEMBL12320666 0.83 KMT2A (0.53) KMT2AMEN1TSHRKDM4EMAPT
SCHEMBL20235825 0.81 NR4A2 (0.60) KMT2AMEN1SLC6A3SLC6A4KDM4E
SCHEMBL12922048 0.81 CYP46A1 (0.57) KMT2AMEN1TSHRKDM4EMAPT
SCHEMBL20850165 0.81 MAPT (0.53) KMT2AMEN1SLC6A3SLC6A4KDM4E
SCHEMBL27825552 0.81 DNMT1 (0.53) KMT2AMEN1KDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100582088-C Aminoalcohol derivatives ASTELLAS PHARMA INC 2010-01-20 CN disclosed
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US disclosed
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
CN-1906154-A Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2007-01-31 CN disclosed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed
CN-1626532-A Amide compounds FUJISAWA PHARMACEUTICAL CO (JP) 2005-06-15 CN disclosed
CN-1170826-C Amide compound ����ҩƷ��ҵ��ʽ���� 2004-10-13 CN disclosed
CN-1376153-A Amide compound FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-23 CN 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-20090012116-A1 Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 KMT2A 2913/4885MEN1 1950/4885TSHR 105/4885

“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.