SCHEMBL17348461

SCHEMBL17348461

CCOC(=O)C1CNc2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
GAA P10253 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL29464052 0.86 KDM4E (0.48) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL8566128 0.84 BACE1 (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8566129 0.84 BACE1 (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8566125 0.84 BACE1 (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL550205 0.81 KCNH2 (0.47) KDM4EALDH1A1MAPTRAB9ACYP1A2
SCHEMBL8564051 0.81 KCNH2 (0.47) KDM4EALDH1A1MAPTRAB9ACYP1A2
SCHEMBL1184927 0.81 ALDH1A1 (0.55) KDM4EALDH1A1GAAMAPTMEN1
Hydrochloric Acid SCHEMBL550146 0.80 KCNH2 (0.46) KDM4EALDH1A1MAPTRAB9ACYP1A2
SCHEMBL16772300 0.79 MTNR1A (0.38) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL3830913 0.77 ALDH1A1 (0.45) KDM4EALDH1A1GAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137419-A1 DERIVATIVES OF 2H-PYRAZOLO[4,3-C]QUINOLIN-3(5H)-ONE AND USE THEREOF INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-05-18 US disclosed
US-20170137419-A1 DERIVATIVES OF 2H-PYRAZOLO[4,3-C]QUINOLIN-3(5H)-ONE AND USE THEREOF INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-05-18 US disclosed
WO-2015189523-A1 DERIVATIVES OF 2H-PYRAZOLO[4,3-C]QUINOLIN-3(5H)-ONE AND USE THEREOF UNIVERSITE DU DROIT ET DE LA SANTE LILLE 2 (FR) 2015-12-17 WO disclosed
CN-86103954-A Preparation has the method for quinolone carboxylic acid ester's class of anti-microbial activity 1987-01-28 CN 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-20170137419-A1 DERIVATIVES OF 2H-PYRAZOLO[4,3-C]QUINOLIN-3(5H)-ONE AND USE THEREOF CYP3A43, CYP3A5, CYP2D6 KDM4E 3110/4885ALDH1A1 286/4885GAA 355/4885

“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.