SCHEMBL5776288

SCHEMBL5776288

Cc1cc(NC(=O)CCc2cnoc2-c2ccc(C(F)(F)F)cc2)no1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
POLB P06746 2/20 0.47
KMT2A Q03164 4/20 0.46
MAPK1 P28482 3/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 3/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 2/20 0.43
EGFR P00533 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL5773575 0.89 ALDH1A1 (0.56) PKMKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5775672 0.83 MAPT (0.50) POLBKMT2AMEN1LMNAHTT
SCHEMBL5770989 0.82 TSHR (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1TP53
SCHEMBL5773606 0.81 MAPT (0.48) POLBKMT2AMEN1LMNAHTT
SCHEMBL5773332 0.80 CNR2 (0.51) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL5773119 0.80 MAPT (0.55) POLBKMT2AMAPK1MEN1LMNA
SCHEMBL5776626 0.80 SMN1; SMN2 (0.42) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL5776826 0.79 CNR2 (0.48) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL5772042 0.78 HDAC1 (0.48) POLBKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5771681 0.78 TRPV1 (0.43) LMNAHTTSMN1; SMN2TP53MAPT

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 PKM 2534/4885POLB 3996/4885KMT2A 3907/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 PKM 1824/4885POLB 3909/4885KMT2A 2906/4885

“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.