SCHEMBL1587971

SCHEMBL1587971

COC(=O)c1ccc(C(=O)NCc2ccnn2C)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
HPGDS O60760 1/20 0.47
SLC8A1 P32418 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MEN1 O00255 1/20 0.39
HDAC4 P56524 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
EPHX2 P34913 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL12529533 0.87 KMT2A (0.62) KMT2AL3MBTL1HPGDSSLC8A1SLC40A1
SCHEMBL12529401 0.81 KMT2A (0.58) KMT2AL3MBTL1HPGDSSLC8A1SLC40A1
SCHEMBL1587443 0.79 SLC40A1 (0.41) KMT2AL3MBTL1SLC40A1HDAC3HDAC1
SCHEMBL1587633 0.76 ALDH1A1 (0.58) LMNAHPGDTSHR
SCHEMBL1587297 0.76 POLB (0.52) HDAC3HDAC1HDAC6HDAC4LMNA
SCHEMBL1587102 0.75 HDAC1 (0.43) L3MBTL1SLC8A1HDAC3HDAC1HDAC6
SCHEMBL1587018 0.74 HPGD (0.67) KMT2AL3MBTL1MEN1LMNAHPGD
SCHEMBL1588185 0.73 HPGDS (0.50) KMT2AHPGDSHDAC3HDAC1HDAC6
SCHEMBL15932495 0.73 KMT2A (0.69) KMT2AL3MBTL1HPGDSSLC40A1HDAC1
SCHEMBL16011515 0.73 HDAC1 (0.61) KMT2AL3MBTL1HDAC3HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968542-B2 Thiophene compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-28 US disclosed
US-20110092496-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-04-21 US disclosed
US-20090118500-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-05-07 US disclosed
EP-1904472-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2008-04-02 EP disclosed
WO-2007010954-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-01-25 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-20090118500-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS TEK, MPL, THPO KMT2A 4051/4885L3MBTL1 3919/4885HPGDS 994/4885
US-20110092496-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS TEK, MPL, THPO KMT2A 4051/4885L3MBTL1 3919/4885HPGDS 994/4885

“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.