SCHEMBL3352196

SCHEMBL3352196

O=C(O)N1CCCC(F)C1NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
DPP4 P27487 4/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.43
FKBP1A P62942 2/20 0.43
FABP6 P51161 1/20 0.42
PREP P48147 1/20 0.42
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL15121950 0.76 MEN1 (0.41) ALDH1A1DPP4HRH3CYP3A4CYP2C9
SCHEMBL4696737 0.75 HTT (0.51) ALDH1A1DPP4HRH3HTTFKBP1A
SCHEMBL2348876 0.73 NPSR1 (0.45) ALDH1A1HRH3MEN1KMT2A
SCHEMBL26645905 0.73 NPSR1 (0.45) ALDH1A1HRH3MEN1KMT2A
SCHEMBL3359407 0.73 NPSR1 (0.45) ALDH1A1HRH3MEN1KMT2A
SCHEMBL4873651 0.73 NPSR1 (0.45) ALDH1A1HRH3MEN1KMT2A
SCHEMBL1576937 0.73 NPSR1 (0.45) ALDH1A1HRH3MEN1KMT2A
SCHEMBL4080791 0.72 FABP6 (0.60) FABP6HPGDMEN1KMT2A
SCHEMBL2241661 0.72 ACHE (0.54) ALDH1A1FABP6HPGDKMT2A
SCHEMBL994595 0.72 ACHE (0.54) ALDH1A1FABP6HPGDKMT2A

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
WO-2016127358-A1 INHIBITORS OF RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-08-18 WO disclosed
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB 2012-10-25 US disclosed
US-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-06-10 US disclosed
EP-2121702-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008071961-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2008-06-19 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 (2 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-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 ALDH1A1 1285/4885DPP4 1434/4885HRH3 2372/4885
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 ALDH1A1 1285/4885DPP4 1434/4885HRH3 2372/4885

“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.