SCHEMBL2774496

SCHEMBL2774496

ON=Cc1cc(F)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ESR2 Q92731 1/20 0.45
MAOB P27338 2/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AR P10275 1/20 0.42
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
KDM1A O60341 2/20 0.40
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 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
SCHEMBL2774494 1.00 MAPT (0.55) MAPTSMN1; SMN2ESR2MAOBLMNA
SCHEMBL10710069 1.00 MAPT (0.55) MAPTSMN1; SMN2ESR2MAOBLMNA
SCHEMBL24959113 0.83 CA3 (0.46) MAPTSMN1; SMN2LMNAALDH1A1L3MBTL1
SCHEMBL2316355 0.82 MAOB (0.43) MAPTSMN1; SMN2MAOBLMNAAR
SCHEMBL2924111 0.81 NFE2L2 (0.48) MAPTSMN1; SMN2LMNAALDH1A1L3MBTL1
SCHEMBL1968882 0.81 NFE2L2 (0.48) MAPTSMN1; SMN2LMNAALDH1A1L3MBTL1
SCHEMBL1968880 0.81 NFE2L2 (0.48) MAPTSMN1; SMN2LMNAALDH1A1L3MBTL1
SCHEMBL8821790 0.80 CA2 (0.55) MAPTSMN1; SMN2MAOBALDH1A1AR
SCHEMBL8821791 0.80 CA2 (0.55) MAPTSMN1; SMN2MAOBALDH1A1AR
Hydrochloric Acid SCHEMBL28115149 0.79 NFE2L2 (0.47) MAPTSMN1; SMN2LMNAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59134767-A None JP disclosed
JP-59161349-A None JP disclosed
US-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
CN-102046618-A Hydroxyquinoxalinecarboxamide derivative DAIICHI SANKYO CO LTD 2011-05-04 CN disclosed
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed
US-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 WO disclosed
EP-0152014-B1 2-CYANO-4-HALOGENOPHENYL SUBSTITUTED-BENZOATES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM Chisso Corporation (JP) 1988-04-20 EP disclosed
US-4659501-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1987-04-21 US disclosed
US-4603018-A NEGATIVE DIELECTRIC ANISOTROPIC LIQUID CRYSTALS CHISSO CORPORATION (JP) 1986-07-29 US disclosed
EP-0106588-B1 2-CYANO-4-HALOGENOPHENYL ESTERS Chisso Corporation (JP) 1986-04-30 EP disclosed
EP-0152014-A2 2-Cyano-4-halogenophenyl substituted-benzoates and liquid crystal compositions containing them Chisso Corporation (JP) 1985-08-21 EP disclosed
JP-S59161349-A LIQUID CRYSTAL COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY CHISSO CORP 1984-09-12 JP disclosed
JP-S59134767-A ESTER COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY CHISSO CORP 1984-08-02 JP disclosed
EP-0106588-A1 2-Cyano-4-halogenophenyl esters Chisso Corporation (JP) 1984-04-25 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-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 MAPT 3496/4885SMN1; SMN2 3761/4885ESR2 861/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 MAPT 3341/4885SMN1; SMN2 3742/4885ESR2 980/4885
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE F12, F2, C3AR1 MAPT 4885/4885SMN1; SMN2 4169/4885ESR2 3095/4885

“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.