SCHEMBL994959

SCHEMBL994959

CCc1cc(Oc2ccccc2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
SLC6A4 P31645 2/20 0.52
KCNH2 Q12809 2/20 0.52
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LTA4H P09960 5/20 0.48
P4HB P07237 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PGR P06401 1/20 0.47
KMO O15229 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
MCL1 Q07820 1/20 0.43
CETP P11597 2/20 0.43
TSHR P16473 1/20 0.43
FFAR1 O14842 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 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
SCHEMBL16316306 0.86 LTA4H (0.48) HTR2ASLC6A4KCNH2LTA4HPGR
SCHEMBL11185908 0.84 LTA4H (0.44) HTR2ASLC6A4KCNH2ALDH1A1LTA4H
SCHEMBL3282466 0.83 MAOB (0.51) HTR2ASLC6A4KCNH2KDM4EALDH1A1
SCHEMBL919857 0.83 HTR2A (0.54) HTR2ASLC6A4KCNH2KDM4EALDH1A1
SCHEMBL11255857 0.82 LTA4H (0.53) LTA4HPGRKMOTSHR
SCHEMBL10836783 0.82 PGR (0.43) HTR2ASLC6A4KCNH2LTA4HPGR
SCHEMBL3532436 0.82 DPP4 (0.49) ALDH1A1LTA4HPGRKMOTSHR
SCHEMBL921801 0.81 ST14 (0.55) HTR2ASLC6A4KCNH2KDM4EALDH1A1
SCHEMBL922673 0.80 HTR2A (0.52) HTR2ASLC6A4KCNH2KDM4EALDH1A1
SCHEMBL5752711 0.80 MAPT (0.59) HTR2ASLC6A4KCNH2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 EP claimed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO claimed
EP-1115694-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
EP-2275091-A1 Pharmaceutical compositions comprising adsorbates of an amorphous drug Pfizer Products Inc. (US) 2011-01-19 EP disclosed
EP-1404302-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING ADSORBATES OF AMORPHOUS DRUG PFIZER PROD INC (US) 2010-11-03 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
EP-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 EP disclosed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO disclosed
EP-1469831-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A SOLID AMORPHOUS DISPERSION OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2004-10-27 EP disclosed
EP-1401399-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYMER AND DRUG ASSEMBLIES Pfizer Products Inc. (US) 2004-03-31 EP disclosed
WO-2003063832-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A SOLID AMORPHOUS DISPERSION OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2003-08-07 WO disclosed
WO-2003000226-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYMER AND DRUG ASSEMBLIES PFIZER PRODUCTS INC. (US) 2003-01-03 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 (1 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 HTR2A 2744/4885SLC6A4 2219/4885KCNH2 1251/4885

“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.