SCHEMBL5772720

SCHEMBL5772720

O=C(CCCc1cnoc1-c1ccccc1)Nc1ccc(-n2ccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 8/20 0.55
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
LMNA P02545 2/20 0.46
TBXAS1 P24557 2/20 0.46
WNT3A P56704 1/20 0.46
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
ACP1 P24666 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADH5 P11766 1/20 0.39

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
SCHEMBL5773818 0.94 PORCN (0.57) PORCNCYP3A4CYP2D6LMNATBXAS1
SCHEMBL16198151 0.76 PORCN (0.71) PORCNCYP3A4CYP2D6LMNATBXAS1
SCHEMBL5774790 0.75 MAPT (0.64) LMNAALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL5773840 0.75 MAPT (0.43) LMNAALDH1A1RAB9ASMN1; SMN2ALOX15
SCHEMBL5773844 0.74 HDAC3 (0.40) LMNAALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL5774078 0.74 LTA4H (0.53) LMNAALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL5797999 0.74 HDAC3 (0.40) LMNAALDH1A1RAB9ASMN1; SMN2ALOX15
SCHEMBL5773983 0.73 GLA (0.53) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5797994 0.73 HDAC3 (0.39) CYP3A4LMNAALDH1A1RAB9ASMN1; SMN2
SCHEMBL5773366 0.73 LTA4H (0.43) LMNAALDH1A1RAB9ASMN1; SMN2MEN1

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 PORCN 652/4885CYP3A4 39/4885CYP2D6 192/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 PORCN 2069/4885CYP3A4 76/4885CYP2D6 190/4885

“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.