SCHEMBL4015076

SCHEMBL4015076

O=C(Nc1ccc(O)cc1Cl)c1nc(C(Cl)(Cl)Cl)n(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
MAPT P10636 6/20 0.43
NPSR1 Q6W5P4 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.42
NR3C1 P04150 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RIPK1 Q13546 1/20 0.39
GRM5 P41594 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 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
SCHEMBL4010350 0.89 MAPT (0.49) POLBMAPTNPSR1KDM4EALDH1A1
SCHEMBL13901654 0.82 POLB (0.48) POLBMAPTNPSR1KDM4EALDH1A1
SCHEMBL4083462 0.81 CA1 (0.43) POLBMAPTNPSR1KDM4EALDH1A1
SCHEMBL4088676 0.81 POLB (0.41) POLBMAPTNPSR1KDM4EALDH1A1
SCHEMBL13901656 0.80 S1PR5 (0.43) POLB
SCHEMBL13901607 0.80 CYP2C19 (0.41) MAPTNPSR1KDM4EALDH1A1NR3C1
SCHEMBL13901918 0.79 CA1 (0.42) POLBMAPTNPSR1KDM4EALDH1A1
SCHEMBL4088650 0.79 POLB (0.40) POLBMAPTNPSR1KDM4EALDH1A1
SCHEMBL4019680 0.75 ALDH1A1 (0.38) POLBMAPTKDM4EALDH1A1HPGD
SCHEMBL4088640 0.75 MAPK14 (0.44) POLBMAPTNPSR1KDM4EALDH1A1

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
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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 (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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 POLB 1544/4885MAPT 3755/4885NPSR1 3473/4885

“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.