SCHEMBL5774790

SCHEMBL5774790

O=C(CCc1cnoc1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.64
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 8/20 0.52
RAB9A P51151 1/20 0.52
NPC1 O15118 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 3/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
USP2 O75604 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL5777470 0.88 DGAT1 (0.51) MAPTSMN1; SMN2RAB9ANPC1CYP2C19
SCHEMBL5773818 0.81 PORCN (0.57) MAPTSMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL5773983 0.80 GLA (0.53) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22500248 0.79 MAPT (1.00) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL5773299 0.78 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL5796440 0.77 MAPT (0.39) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL5777386 0.77 LMNA (0.47) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5770221 0.77 ENPP2 (0.46) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL5796433 0.77 MAPT (0.38) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL5796443 0.77 MAPT (0.38) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1

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 MAPT 4701/4885SMN1; SMN2 3383/4885ALDH1A1 1045/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885SMN1; SMN2 2449/4885ALDH1A1 682/4885

“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.