SCHEMBL5455154

SCHEMBL5455154

ClC/C=C/c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CHAT P28329 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GSR P00390 1/20 0.44
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
NFE2L2 Q16236 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
RELA Q04206 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL7283509 1.00 ALDH1A1 (0.48) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL31500768 1.00 ALDH1A1 (0.48) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL30444012 0.80 HDAC1 (0.47) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL12426097 0.80 ALDH1A1 (0.46) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL29528779 0.80 CHAT (0.47) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL6568108 0.80 CHAT (0.47) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL10590630 0.80 ALDH1A1 (0.46) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL3533797 0.80 HDAC1 (0.47) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL3533801 0.80 HDAC1 (0.47) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL6161586 0.80 ALDH1A1 (0.52) ALDH1A1CHATHDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029622-A1 MICROEMULSIONS NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) 2010-02-04 US disclosed
US-20100029622-A1 MICROEMULSIONS NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) 2010-02-04 US disclosed
EP-2149370-A1 Diazabicyclic compounds and microemulsions thereof Neuroscienze Pharmaness S.C. A R.L. (IT) 2010-02-03 EP disclosed
US-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides SYNGENTA CROP PROTECTION, INC. 2007-09-27 US disclosed
CN-1250546-C Tetrahydropyrido compound ALTANA PHARMA (DE) 2006-04-12 CN disclosed
CN-1508136-A Tetrahydropyrido compound ��̹��ҽҩ��˾ 2004-06-30 CN disclosed
CN-1251102-A Tetrahydropyrido compounds BYK GULDEN LOMBERG CHEM FAB (DE) 2000-04-19 CN disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
US-4746712-A GELATION INHIBITION JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1988-05-24 US disclosed
US-4695614-A ORGANOALUMINUM COMPOUND, MODIFIED VANADIUM COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1987-09-22 US disclosed
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed
US-4115398-A CARDIOVASCULAR DISORDERS KOWA COMPANY LTD. (JP) 1978-09-19 US 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-20100029622-A1 MICROEMULSIONS LIPA, APOB, LIPC ALDH1A1 4424/4885CHAT 620/4885HDAC1 3197/4885
US-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides CHRM1, NPY1R, MRM1 ALDH1A1 465/4885CHAT 811/4885HDAC1 2886/4885

“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.