SCHEMBL4063953

SCHEMBL4063953

COc1ccc2ncc(Cl)c(N3CCN(CCNC(=O)C(F)(F)F)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.46
DRD4 P21917 5/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 1/20 0.44
DRD2 P14416 2/20 0.43
HTR1A P08908 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MELK Q14680 1/20 0.43
CYP2D6 P10635 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL5778103 0.88 ALDH1A1 (0.48) ALDH1A1NPSR1LMNAPOLBDRD4
SCHEMBL4068347 0.87 POLB (0.43) ALDH1A1LMNAPOLBDRD4MTNR1A
SCHEMBL4064039 0.83 NCF1 (0.53) ALDH1A1DRD4MTNR1AMTNR1BDRD2
SCHEMBL4068344 0.82 KCNH2 (0.42) POLBDRD4DRD2HTR1A
SCHEMBL5778107 0.80 ALDH1A1 (0.49) ALDH1A1NPSR1LMNAPOLBMTNR1B
SCHEMBL4071728 0.80 ALDH1A1 (0.48) ALDH1A1NPSR1LMNAPOLBMAPT
SCHEMBL4071027 0.75 HTR1A (0.46) ALDH1A1DRD4MTNR1AMTNR1BDRD2
SCHEMBL4069719 0.74 SUV39H2 (0.48) ALDH1A1NPSR1LMNAMTNR1BMAPT
SCHEMBL4064313 0.74 KCNH2 (0.53)
SCHEMBL4066048 0.70 KCNH2 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP disclosed
US-20060189601-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-08-24 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-20060189601-A1 Antibacterial agents NQO2, NRDC, IFNG ALDH1A1 3099/4885NPSR1 2898/4885LMNA 2488/4885

“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.