SCHEMBL5773818

SCHEMBL5773818

O=C(CCc1cnoc1-c1ccccc1)Nc1ccc(-n2ccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 8/20 0.57
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
WNT3A P56704 1/20 0.47
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
ACP1 P24666 1/20 0.44
TBXAS1 P24557 2/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADH5 P11766 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL5772720 0.94 PORCN (0.55) PORCNCYP3A4CYP2D6WNT3AALDH1A1
SCHEMBL5774790 0.81 MAPT (0.64) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16198151 0.80 PORCN (0.71) PORCNCYP3A4CYP2D6WNT3AALDH1A1
SCHEMBL5773983 0.79 GLA (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5773299 0.77 MAPT (0.54) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5777386 0.76 LMNA (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5770221 0.76 ENPP2 (0.46) ALDH1A1RAB9ASMN1; SMN2MEN1TSHR
SCHEMBL5770081 0.75 GAA (0.45) ALDH1A1SMN1; SMN2MEN1ALOX15TSHR
SCHEMBL5775546 0.74 PABPC1 (0.50) CYP3A4ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL5770770 0.74 MLYCD (0.41) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A

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.