SCHEMBL1776571

SCHEMBL1776571

O=C(O)Cc1cc(=O)[nH]c2cc(F)ccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
FEN1 P39748 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
SMYD3 Q9H7B4 1/20 0.43
TNKS2 Q9H2K2 2/20 0.43
MPL P40238 1/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MITF O75030 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9766070 0.83 PARP1 (0.45) FEN1SMYD3TNKS2HPGDMEN1
SCHEMBL9155261 0.82 GPR17 (0.48) TSHRMPLHPGDMEN1KMT2A
SCHEMBL1774421 0.80 FEN1 (0.45) FEN1SMYD3TNKS2HPGDLMNA
SCHEMBL31376496 0.80 ALDH1A1 (0.59) TSHRTNKS2HPGDMEN1KMT2A
SCHEMBL8366302 0.80 ALDH1A1 (0.59) TSHRTNKS2HPGDMEN1KMT2A
SCHEMBL4118331 0.80 TNKS2 (0.46) FEN1SMYD3TNKS2HPGDLMNA
SCHEMBL29651210 0.78 TSHR (0.77) TSHRHPGDLMNAMEN1KMT2A
SCHEMBL4098433 0.78 TSHR (0.77) TSHRHPGDLMNAMEN1KMT2A
SCHEMBL16510780 0.77 LMNA (0.43) TSHRSMYD3TNKS2HPGDLMNA
SCHEMBL1775740 0.77 TNKS2 (0.44) FEN1SMYD3TNKS2HPGDLMNA

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 10 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 claimed
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 claimed
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
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
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
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
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
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
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
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 TSHR 3536/4885FEN1 2772/4885PTGS1 770/4885

“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.