SCHEMBL4229398

SCHEMBL4229398

[CH2]C=CCc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2D6 P10635 3/20 0.46
TDP1 Q9NUW8 1/20 0.44
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
ACP3 P15309 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1I2 O75469 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2C P18825 1/20 0.41
CNR1 P21554 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL10347376 0.81 CYP2C19 (0.46) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL6001657 0.81 CYP1A2 (0.46) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL9819905 0.81 CYP1A2 (0.46) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL10499434 0.80 CYP1A2 (0.48) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL6694933 0.80 CYP1A2 (0.48) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL301409 0.80 CYP2C19 (0.48) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL2136855 0.80 CYP2C19 (0.50) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL1611481 0.80 CYP2C19 (0.50) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL7924285 0.80 CYP2C19 (0.48) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL1325661 0.80 TDP1 (0.48) CYP2C19CYP1A2CYP2C9CYP2D6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319986-B1 Anti-plasmin depressant NIPPON SHINYAKU CO LTD (JP) 1997-03-12 EP claimed
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 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
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0319986-B1 Anti-plasmin depressant NIPPON SHINYAKU CO LTD (JP) 1997-03-12 EP disclosed
EP-0733364-A1 MEDICINAL COMPOSITION FOR CIRCULATORY ORGAN NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-09-25 EP disclosed
EP-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 EP disclosed
US-5292750-A piperidine compounds NIPPON SHINYAKU CO. LTD. (JP) 1994-03-08 US disclosed
US-5192772-A Administering moranoline derivatives; anticoagulants NIPPON SHINYAKU CO. LTD. (JP) 1993-03-09 US disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
EP-0319986-A2 Fibrinolytic agents NIPPON SHINYAKU COMPANY, LIMITED (JP) 1989-06-14 EP disclosed
EP-0099534-A1 Cyclohexane-1,3-dione derivatives, process for their production and herbicides containing such compounds BASF Aktiengesellschaft (DE) 1984-02-01 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 (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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 CYP2C19 1505/4885CYP1A2 1586/4885CYP2C9 2265/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 CYP2C19 1053/4885CYP1A2 1012/4885CYP2C9 2042/4885

“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.