SCHEMBL3026745

SCHEMBL3026745

CCc1ccc(NC(C)=O)cc1CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 2/20 0.53
NR4A1 P22736 1/20 0.53
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TDP1 Q9NUW8 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
CYP1A2 P05177 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.50
RORC P51449 1/20 0.50
GLA P06280 1/20 0.50
TNNI3 P19429 1/20 0.50
TNNT2 P45379 1/20 0.50
TNNC1 P63316 1/20 0.50

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
SCHEMBL2550927 0.85 ALDH1A1 (0.56) HSD17B10RAB9APOLBNR4A1HTT
SCHEMBL7525964 0.85 TDP1 (0.52) HSD17B10RAB9APOLBNR4A1HTT
SCHEMBL2855498 0.85 POLB (0.63) RAB9APOLBNR4A1HTTSMN1; SMN2
SCHEMBL11127800 0.85 TDP1 (0.64) HSD17B10RAB9APOLBNR4A1HTT
SCHEMBL31198180 0.85 POLB (0.58) RAB9APOLBNR4A1HTTSMN1; SMN2
SCHEMBL847574 0.83 POLB (0.49) RAB9APOLBNR4A1HTTSMN1; SMN2
SCHEMBL10619104 0.83 RORC (0.62) RAB9APOLBNR4A1SMN1; SMN2L3MBTL1
SCHEMBL13448607 0.83 SMN1; SMN2 (0.51) RAB9APOLBNR4A1HTTSMN1; SMN2
SCHEMBL14368008 0.83 RORC (0.58) RAB9APOLBNR4A1HTTSMN1; SMN2
SCHEMBL13183891 0.82 HTT (0.50) HSD17B10RAB9APOLBNR4A1HTT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 WO disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
US-5710139-A Heterocyclic compounds ASTRA AB (SE) 1998-01-20 US disclosed
EP-0736032-A1 HETEROCYCLIC COMPOUNDS Astra Aktiebolag (SE) 1996-10-09 EP disclosed
WO-1995017410-A1 HETEROCYCLIC COMPOUNDS ASTRA AKTIEBOLAG (SE) 1995-06-29 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 (6 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 HSD17B10 537/4885RAB9A 2502/4885POLB 4006/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 HSD17B10 1452/4885RAB9A 2782/4885POLB 4226/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 HSD17B10 2339/4885RAB9A 3051/4885POLB 4281/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 HSD17B10 1922/4885RAB9A 3779/4885POLB 4346/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 HSD17B10 1295/4885RAB9A 2323/4885POLB 3851/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 HSD17B10 801/4885RAB9A 3123/4885POLB 2808/4885

“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.