SCHEMBL5772191

SCHEMBL5772191

CON(C)C(=O)Nc1c(C)noc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.57
LPAR3 Q9UBY5 3/20 0.57
MAPT P10636 3/20 0.55
KDM4E B2RXH2 1/20 0.55
BRD4 O60885 1/20 0.46
PTGS1 P23219 1/20 0.45
ABCC3 O15438 1/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
ABCB4 P21439 1/20 0.44
ABCC2 Q92887 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
LPAR2 Q9HBW0 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4035675 0.82 MAPT (0.67) LPAR1LPAR3MAPTKDM4EBRD4
SCHEMBL5529169 0.78 MAPT (0.62) LPAR1LPAR3MAPTKDM4EBRD4
SCHEMBL5537590 0.77 ATM (0.56) LPAR1LPAR3MAPTKDM4EABCC3
SCHEMBL5776130 0.75 NTRK1 (0.41) LPAR1LPAR3KDM4EPTGS1ALDH1A1
SCHEMBL4029141 0.73 LPAR1 (0.62) LPAR1LPAR3MAPTKDM4EABCC3
SCHEMBL4033791 0.73 LPAR1 (0.52) LPAR1LPAR3MAPTKDM4EBRD4
SCHEMBL2780170 0.72 LPAR1 (1.00) LPAR1LPAR3MAPTKDM4EBRD4
SCHEMBL18597735 0.72 LPAR1 (0.57) LPAR1LPAR3MAPTKDM4EABCC3
SCHEMBL6382 0.72 LPAR1 (0.57) LPAR1LPAR3MAPTKDM4EABCC3
SCHEMBL4037272 0.72 MAPT (0.54) LPAR1LPAR3MAPTKDM4EABCC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR LPAR1 4480/4885LPAR3 2790/4885MAPT 4701/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 LPAR1 4447/4885LPAR3 4232/4885MAPT 4763/4885

“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.