SCHEMBL4716685

SCHEMBL4716685

O=[N+]1NCCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
PNMT P11086 1/20 0.39
CD44 P16070 1/20 0.39
MAOB P27338 1/20 0.39
PDPK1 O15530 1/20 0.38
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PRCP P42785 3/20 0.32
GAA P10253 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
NPC1 O15118 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL3649668 0.67 MAOB (0.38) HTR2CMAOBTSHRNPC1MAPK13
SCHEMBL11880028 0.64 HTR6 (0.31)
SCHEMBL4238132 0.64 TSHR (0.44) MAOBTSHRCES1CYP2A6CYP1A2
SCHEMBL11260889 0.62
Indoline SCHEMBL17492471 0.61 PDPK1 (0.46) HTR2CPNMTCD44MAOBPDPK1
SCHEMBL175146 0.61 HTR2C (1.00) HTR2CPNMTCD44MAOBPDPK1
SCHEMBL23555058 0.59 HTR2C (0.94) HTR2CPNMTCD44MAOBPDPK1
Hydrochloric Acid SCHEMBL2307798 0.59 HTR2C (0.94) HTR2CPNMTCD44MAOBTSHR
Ammonia Solution, Strong SCHEMBL20359164 0.59 HTR2C (0.94) HTR2CPNMTCD44MAOBPDPK1
SCHEMBL820510 0.59 PARP11 (0.59) HTR2CPNMTCD44MAOBPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 EP disclosed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US disclosed
EP-1664023-A1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP disclosed
WO-2005021533-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO disclosed
US-20050049253-A1 Substituted quinolinone derivatives and methods of use AMGEN INC. 2005-03-03 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 (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-20050049253-A1 Substituted quinolinone derivatives and methods of use NQO1, NQO2, UGT1A1 HTR2C 2194/4885PNMT 2781/4885CD44 4256/4885

“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.