SCHEMBL3523253

SCHEMBL3523253

Cc1nc(O[C@@H](Cl)c2ccccc2)c(Br)c(=O)n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TNF P01375 1/20 0.40
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
APP P05067 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.38
PDE1A P54750 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
SCHEMBL3525586 0.80 MAPK14 (0.47) MAPTALDH1A1MAPK1HPGDKDM4E
SCHEMBL3522646 0.78 MAPT (0.44) MAPTALDH1A1MAPK1HPGDKDM4E
SCHEMBL3523251 0.74 MAPT (0.44) MAPTALDH1A1MAPK1HPGDKDM4E
SCHEMBL3519099 0.74 ALDH1A1 (0.44) MAPTALDH1A1MAPK1HPGDKDM4E
SCHEMBL3523544 0.74 KDM4E (0.51) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL3525017 0.73 P2RX7 (0.43) MAPTALDH1A1MAPK1HPGDKDM4E
SCHEMBL3522590 0.70 MAPK14 (0.56)
SCHEMBL13167694 0.69 MAPK14 (0.49) MAPTALDH1A1MAPK1HPGDKDM4E
SCHEMBL3521516 0.66 MEN1 (0.48) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL3524281 0.65 MAPK14 (0.37) MAPTALDH1A1

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
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPT 2576/4885ALDH1A1 874/4885MAPK1 1/4885

“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.