SCHEMBL3528019

SCHEMBL3528019

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
MAPK1 P28482 1/20 0.39
CNR1 P21554 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
TNF P01375 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
ATM Q13315 1/20 0.37
PTGS2 P35354 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
SCHEMBL3525235 0.82 ALDH1A1 (0.45) MAPTALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL3519099 0.80 ALDH1A1 (0.44) MAPTGALR3NR2F2ALDH1A1CYP1A2
SCHEMBL4379940 0.80 ALDH1A1 (0.44) MAPTALDH1A1CYP1A2CYP2C19GAA
SCHEMBL3526368 0.74 PKM (0.49) MAPTALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL4472970 0.74 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C19GAACYP2D6
SCHEMBL3526542 0.69 GRM5 (0.60) MAPTGAALMNA
SCHEMBL3521617 0.69 ALDH1A1 (0.51) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL31033502 0.68 CYP2C19 (0.47) MAPTALDH1A1CYP1A2CYP2C19GAA
SCHEMBL3522646 0.66 MAPT (0.44) MAPTGALR3NR2F2ALDH1A1CYP1A2
SCHEMBL4836206 0.65 MAPT (0.61) MAPTGALR3NR2F2ALDH1A1MAPK1

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 MAPT 2576/4885GALR3 2479/4885NR2F2 2925/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPT 3038/4885GALR3 2918/4885NR2F2 3241/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPT 2576/4885GALR3 2479/4885NR2F2 2925/4885

“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.