SCHEMBL4322949

SCHEMBL4322949

N#Cc1nc2ccccc2nc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
PSMB8 P28062 3/20 0.46
KDM4E B2RXH2 3/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 2/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP7 P55210 1/20 0.39
PSMB5 P28074 1/20 0.38
KMT2A Q03164 2/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37

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
SCHEMBL4601647 0.84 MAPT (0.53) TDP1PSMB8KDM4EALDH1A1MAPT
SCHEMBL31143803 0.84 MAPT (0.53) TDP1PSMB8KDM4EALDH1A1MAPT
SCHEMBL5673819 0.78 TDP1 (0.58) TDP1KDM4EPKMALDH1A1MAPT
SCHEMBL29451077 0.75 TDP1 (1.00) TDP1KDM4EPKMALDH1A1MAPT
SCHEMBL116696 0.75 TDP1 (1.00) TDP1KDM4EPKMALDH1A1MAPT
SCHEMBL12630108 0.74 ALDH1A1 (0.45) PSMB8KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL11693530 0.74 ALDH1A1 (0.42) TDP1PSMB8KDM4EALDH1A1MAPT
SCHEMBL22931800 0.74 ALDH1A1 (0.42) TDP1PSMB8KDM4EALDH1A1MAPT
SCHEMBL29424973 0.74 MAPT (0.58) PSMB8KDM4EALDH1A1MAPTPOLB
SCHEMBL1128621 0.74 MAPT (0.58) PSMB8KDM4EALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017019817-A1 METHODS AND COMPOSITIONS FOR TARGETED THERAPEUTICS MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-02 WO disclosed
WO-2017019830-A1 METHODS AND COMPOSITIONS FOR TARGETED THERAPEUTICS MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-02 WO disclosed
WO-2017019822-A1 PELLET COMPOSITION CONTAINING REPAIR CELLS MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-02 WO disclosed
US-20090258862-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
EP-1942905-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2008-07-16 EP disclosed
WO-2007027532-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-03-08 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-20090258862-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment LDLR, APOB, FFAR1 TDP1 3017/4885PSMB8 2984/4885KDM4E 4844/4885

“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.