SCHEMBL5254334

SCHEMBL5254334

O=C1CSc2ccc(CNC3CCN(C(=O)O)CC3O)cc2N1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.40
ATM Q13315 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
GFER P55789 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL5254332 1.00 POLB (0.44) POLBHTTALDH1A1LMNAKMT2A
SCHEMBL5252685 0.86 HTT (0.47) POLBHTTALDH1A1LMNAKMT2A
SCHEMBL5256409 0.80 POLB (0.44) POLBHTTALDH1A1LMNAKMT2A
SCHEMBL5256413 0.80 POLB (0.44) POLBHTTALDH1A1LMNAKMT2A
SCHEMBL6674995 0.79 POLB (0.40) POLBHTTALDH1A1LMNAKMT2A
SCHEMBL3250361 0.79 POLB (0.40) POLBHTTALDH1A1LMNAKMT2A
SCHEMBL5260758 0.75 HTT (0.49) POLBHTTALDH1A1LMNAKMT2A
SCHEMBL5263446 0.75 HTT (0.49) POLBHTTALDH1A1LMNAKMT2A
SCHEMBL4481162 0.75 NPSR1 (0.46) POLBALDH1A1KMT2AMEN1HTR1A
SCHEMBL7017524 0.75 NPSR1 (0.46) POLBALDH1A1KMT2AMEN1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359908-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2007-08-22 EP disclosed
US-7205408-B2 Quinolines and nitrogenated derivative thereof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM, P.L.C. (GB) 2007-04-17 US disclosed
US-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-15 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-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents NCF1, TEAD1, TYMS POLB 544/4885HTT 3268/4885ALDH1A1 1742/4885

“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.