SCHEMBL5773375

SCHEMBL5773375

Cc1sc(NC(=O)CCc2cnoc2-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPK1 P28482 1/20 0.56
ALOX5 P09917 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GSTO1 P78417 1/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RORC P51449 1/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
XIAP P98170 1/20 0.49

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
SCHEMBL5775645 0.75 MAPT (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL5773693 0.75 ALDH1A1 (0.53) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL5772134 0.74 NTRK1 (0.56) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL5772024 0.73 NPC1 (0.61) MAPK1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL5775920 0.73 MAPT (0.51) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL5774472 0.73 RXRA (0.50) ALDH1A1HSD17B10MAPK1CYP2C19MAPT
SCHEMBL10810440 0.73 ALOX5 (0.76) ALDH1A1HSD17B10MAPK1ALOX5CYP1A2
SCHEMBL5773299 0.72 MAPT (0.54) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL5773847 0.72 CCNC (0.47) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL5773983 0.72 GLA (0.53) ALDH1A1MAPK1MAPTMEN1KMT2A

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 ALDH1A1 1045/4885HSD17B10 305/4885MAPK1 1148/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ALDH1A1 682/4885HSD17B10 194/4885MAPK1 485/4885

“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.