SCHEMBL1609445

SCHEMBL1609445

CCCC/C=[C]\c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHAT P28329 2/20 0.36
CNR1 P21554 2/20 0.36
HTR1D P28221 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2A6 P11509 1/20 0.34
MAPT P10636 1/20 0.34
GRM5 P41594 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 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
SCHEMBL27293170 1.00 HTR1B (0.37) HTR1BGAATDP1L3MBTL1CHAT
SCHEMBL1610676 0.95 CNR1 (0.38) HTR1BGAATDP1L3MBTL1CHAT
SCHEMBL1612559 0.94 CHAT (0.40) HTR1BGAATDP1L3MBTL1CHAT
SCHEMBL1610598 0.90 CHAT (0.38) HTR1BTDP1CHATHTR1DCA1
SCHEMBL1611797 0.87 MEN1 (0.35) GAATDP1ALDH1A1MAPTKDM4E
SCHEMBL1610267 0.83 MAPT (0.35) GAACHATCNR1ALDH1A1MAPT
SCHEMBL1611479 0.82 CHAT (0.40) TDP1CHATCA1CA2ALDH1A1
SCHEMBL1611237 0.81 MAPT (0.37) CHATCNR1MAPTMEN1NPC1
SCHEMBL1610913 0.78 MAPT (0.38) GAATDP1L3MBTL1ALDH1A1MAPT
SCHEMBL1609667 0.77 TSHR (0.41) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 WO disclosed
EP-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 EP disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP 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 (3 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 HTR1B 650/4885GAA 1351/4885TDP1 2203/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 HTR1B 430/4885GAA 1156/4885TDP1 1981/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 HTR1B 163/4885GAA 4626/4885TDP1 2129/4885

“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.