SCHEMBL5775028

SCHEMBL5775028

Cc1onc(-c2ccc(C(F)(F)F)cc2)c1CCl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 5/20 0.52
MAPT P10636 2/20 0.51
GPBAR1 Q8TDU6 2/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 2/20 0.41
RECQL P46063 1/20 0.39
MLYCD O95822 1/20 0.38
RAB9A P51151 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CASP3 P42574 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PTPN1 P18031 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL5772937 0.85 MAPT (0.54) GABRA5MAPTGPBAR1MEN1KMT2A
SCHEMBL286512 0.83 GABRA5 (0.49) GABRA5GPBAR1KMT2AALDH1A1
SCHEMBL5773713 0.81 GABRA5 (0.50) GABRA5MAPTGPBAR1NPSR1KDM4E
SCHEMBL21590732 0.80 GABRA1 (0.46) GABRA5GPBAR1CASP3
SCHEMBL195699 0.79 PTGS1 (0.58) GABRA5MAPTMEN1KMT2ANPSR1
SCHEMBL5775556 0.78 MAPT (0.56) GABRA5MAPTGPBAR1NPC1FFAR4
SCHEMBL21590497 0.78 GABRA5 (0.45) GABRA5MAPTGPBAR1NPC1RAB9A
SCHEMBL3821682 0.76 GABRA5 (0.52) GABRA5GPBAR1NPSR1ALDH1A1
SCHEMBL21590459 0.74 GABRA1 (0.52)
SCHEMBL30062683 0.74 GABRA1 (0.52)

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 GABRA5 707/4885MAPT 4701/4885GPBAR1 1073/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 GABRA5 991/4885MAPT 4763/4885GPBAR1 813/4885

“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.