SCHEMBL5770081

SCHEMBL5770081

O=C(CCc1cnoc1-c1ccccc1)Nc1cnccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
THRB P10828 1/20 0.45
NOTUM Q6P988 2/20 0.44
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 3/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
TSHR P16473 3/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM6B O15054 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL5770989 0.86 TSHR (0.43) NOTUMALDH1A1KMT2AMEN1TSHR
SCHEMBL5772024 0.79 NPC1 (0.61) NOTUMLMNAKMT2ATSHRL3MBTL1
SCHEMBL18766767 0.78 LMNA (0.60) GAATHRBNOTUMLMNAALDH1A1
SCHEMBL5774472 0.76 RXRA (0.50) LMNAALDH1A1KDM4ETSHRCDK8
SCHEMBL5775645 0.76 MAPT (0.45) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL5773983 0.75 GLA (0.53) LMNAALDH1A1KMT2AMEN1SIRT2
SCHEMBL5773818 0.75 PORCN (0.57) NOTUMLMNAALDH1A1KMT2AMEN1
SCHEMBL5775546 0.75 PABPC1 (0.50) NOTUMALDH1A1KMT2AMEN1KDM4E
SCHEMBL5777386 0.74 LMNA (0.47) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL5770831 0.73 NR4A2 (0.52) GAALMNAALDH1A1KMT2AKDM4E

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 GAA 2207/4885THRB 363/4885NOTUM 617/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 GAA 1930/4885THRB 427/4885NOTUM 1237/4885

“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.