SCHEMBL3519099

SCHEMBL3519099

Cc1nc(OS(=O)(=O)c2ccc(Br)cc2)c(Br)c(=O)n1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 2/20 0.43
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
STAT6 P42226 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
CNR1 P21554 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
SCHEMBL3522646 0.85 MAPT (0.44) ALDH1A1CYP1A2CYP2C19GAACYP2D6
SCHEMBL3528019 0.80 MAPT (0.43) ALDH1A1CYP1A2CYP2C19GAACYP2D6
SCHEMBL4472970 0.79 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C19GAACYP2D6
SCHEMBL3525586 0.77 MAPK14 (0.47) ALDH1A1CYP1A2CYP2C19GAACYP2D6
SCHEMBL3523253 0.74 MAPT (0.43) ALDH1A1CYP1A2CYP2C19GAACYP2D6
SCHEMBL4379940 0.73 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19GAACYP2D6
SCHEMBL3521516 0.72 MEN1 (0.48) ALDH1A1CYP1A2CYP2C19CYP2D6MEN1
SCHEMBL3523251 0.72 MAPT (0.44) ALDH1A1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL3523544 0.71 KDM4E (0.51) ALDH1A1CYP1A2CYP2C19GAACYP2D6
SCHEMBL3525017 0.69 P2RX7 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD

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-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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 (3 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 ALDH1A1 874/4885CYP1A2 895/4885CYP2C19 1305/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 ALDH1A1 550/4885CYP1A2 873/4885CYP2C19 1392/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 ALDH1A1 874/4885CYP1A2 895/4885CYP2C19 1305/4885

“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.