SCHEMBL5776806

SCHEMBL5776806

O=C(CCc1cnoc1-c1ccc(F)cc1)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A5 Q9Y345 5/20 0.41
RAB9A P51151 1/20 0.41
PRCP P42785 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
FOLH1 Q04609 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 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
SCHEMBL5776524 0.84 EPHX2 (0.43) SLC6A4SLC6A3POLB
SCHEMBL5777386 0.83 LMNA (0.47) ALDH1A1KMT2APOLB
SCHEMBL5774072 0.81 LMNA (0.54) ALDH1A1HPGDKMT2ARAB9APOLB
SCHEMBL5773900 0.80 CYP1A2 (0.52) ALDH1A1HPGDKMT2ARAB9ASLC6A4
SCHEMBL5773998 0.79 FFAR1 (0.46) ALDH1A1HPGDPOLBTSHR
SCHEMBL5771249 0.79 RAB9A (0.51) ALDH1A1HPGDKMT2ARAB9APOLB
SCHEMBL5773717 0.78 L3MBTL1 (0.52) ALDH1A1HPGDKMT2ARAB9ASLC6A4
SCHEMBL5769962 0.78 SMN1; SMN2 (0.41) ALDH1A1HPGDKMT2ARAB9A
SCHEMBL5771183 0.78 ROCK2 (0.45) ALDH1A1KMT2APOLB
SCHEMBL5772947 0.78 MGLL (0.47) KMT2A

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 SLC6A9 930/4885ALDH1A1 1045/4885HPGD 1588/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SLC6A9 713/4885ALDH1A1 682/4885HPGD 1307/4885

“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.