SCHEMBL1775740

SCHEMBL1775740

O=c1cc(CCCl)c2ccc(F)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.44
GPR84 Q9NQS5 1/20 0.42
HTR2A P28223 1/20 0.42
FEN1 P39748 1/20 0.42
DAO P14920 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
MITF O75030 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PARP1 P09874 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1A P08908 1/20 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
SCHEMBL1774421 0.84 FEN1 (0.45) TNKS2GPR84HTR2AFEN1DAO
SCHEMBL4118331 0.81 TNKS2 (0.46) TNKS2GPR84HTR2AFEN1DAO
SCHEMBL8368811 0.79 ALDH1A1 (0.56) TNKS2HPGDKDM4EALDH1A1MITF
SCHEMBL1776571 0.77 TSHR (0.52) TNKS2GPR84FEN1LMNAHPGD
SCHEMBL2798042 0.75 TNKS2 (0.50) TNKS2FEN1DAOLMNAHPGD
SCHEMBL1378769 0.73 TNKS2 (0.75) TNKS2FEN1DAOLMNAHPGD
SCHEMBL8871948 0.73 LMNA (0.54) TNKS2FEN1DAOLMNAHPGD
SCHEMBL9766070 0.73 PARP1 (0.45) TNKS2FEN1HPGDNOS3NOS1
SCHEMBL9766056 0.72 ALDH1A1 (0.46) TNKS2HTR2ALMNAHPGDKDM4E
SCHEMBL8369447 0.72 AR (0.51) TNKS2LMNAHPGDMITFPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943769-B2 Fluorinated derivative of quinolin-2(1H)-one, method for preparing the same and use thereof as a synthesis intermediate SANOFI-AVENTIS (FR) 2011-05-17 US disclosed
EP-2102216-B1 FLUORINATED DERIVATIVE OF QUINOLEINE-2(1H)-ONE, METHOD FOR PREPARING THE SAME AND USE THEREOF AS A SYNTHESIS INTERMEDIATE SANOFI AVENTIS (FR) 2010-07-21 EP disclosed
US-20100094005-A1 FLUORINATED DERIVATIVE OF QUINOLIN-2(1H)-ONE, METHOD FOR PREPARING THE SAME AND USE THEREOF AS A SYNTHESIS INTERMEDIATE SANOFI-AVENTIS (FR) 2010-04-15 US disclosed
EP-2102216-A1 FLUORINATED DERIVATIVE OF QUINOLEINE-2(1H)-ONE, METHOD FOR PREPARING THE SAME AND USE THEREOF AS A SYNTHESIS INTERMEDIATE Sanofi-Aventis (FR) 2009-09-23 EP disclosed
WO-2008087277-A1 FLUORINATED DERIVATIVE OF QUINOLEINE-2(1H)-ONE, METHOD FOR PREPARING THE SAME AND USE THEREOF AS A SYNTHESIS INTERMEDIATE SANOFI-AVENTIS (FR) 2008-07-24 WO disclosed
EP-0971928-A1 QUINOLINE-2(1H)-ONE AND DIHYDROQUINOLINE-2(1H)-ONE DERIVATIVES AS LIGANDS OF 5-HT, 5-HT2 AND 5-HT1-LIKE RECEPTORS SANOFI-SYNTHELABO (FR) 2000-01-19 EP disclosed
WO-1998042712-A1 QUINOLINE-2(1H)-ONE AND DIHYDROQUINOLINE-2(1H)-ONE DERIVATIVES AS LIGANDS OF 5-HT, 5-HT2 AND 5-HT1-LIKE RECEPTORS SANOFI-SYNTHELABO (FR) 1998-10-01 WO disclosed
US-4983607-A ANTISEROTONINERGIC ACTIVITY SYNTHELABO (FR) 1991-01-08 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-20100094005-A1 FLUORINATED DERIVATIVE OF QUINOLIN-2(1H)-ONE, METHOD FOR PREPARING THE SAME AND USE THEREOF AS A SYNTHESIS INTERMEDIATE NQO2, SULT2A1, CYP3A7 TNKS2 692/4885GPR84 4226/4885HTR2A 906/4885

“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.