SCHEMBL1307972

SCHEMBL1307972

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccccc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.70
AKR1C2 P52895 3/20 0.59
AKR1C1 Q04828 3/20 0.59
AKR1C4 P17516 1/20 0.59
AKR1C3 P42330 1/20 0.59
MAPT P10636 2/20 0.56
DHODH Q02127 1/20 0.54
GPR35 Q9HC97 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.53
KCNK2 O95069 1/20 0.53
KCNK10 P57789 1/20 0.53
TDP1 Q9NUW8 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ABL1 P00519 1/20 0.52
TSHR P16473 1/20 0.52
RIN1 Q13671 1/20 0.52
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL1307653 0.89 AKR1C2 (0.60) TP53AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL4710843 0.87 TP53 (0.69) TP53MAPTGPR35TDP1MEN1
SCHEMBL1307380 0.87 AKR1C2 (0.64) TP53AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL1308673 0.85 AKR1C2 (0.62) TP53AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL1308286 0.84 NPC1 (0.57) TP53AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL1309186 0.84 AKR1C2 (0.58) TP53AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL1309690 0.84 PTPRC (0.59) TP53MAPTL3MBTL1GAATDP1
SCHEMBL1310012 0.84 AKR1C2 (0.60) TP53AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6359676 0.84 AKR1C2 (0.55) TP53AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL1307640 0.83 ALDH1A1 (0.60) TP53AKR1C2AKR1C1AKR1C4AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US claimed
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
WO-2004022525-A1 AMIDE DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 WO claimed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
WO-2004022525-A1 AMIDE DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 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 (2 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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 PIM1, PIM3, PIM2 TP53 42/4885AKR1C2 2289/4885AKR1C1 1435/4885
US-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 TP53 2308/4885AKR1C2 3012/4885AKR1C1 2615/4885

“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.