SCHEMBL5775645

SCHEMBL5775645

CCNC(=O)CCc1cnoc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR4A2 P43354 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
IP6K1 Q92551 1/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 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
SCHEMBL5774472 0.82 RXRA (0.50) MAPTALDH1A1HPGDLMNACYP2C19
SCHEMBL5773847 0.81 CCNC (0.47) ALDH1A1GAAHPGDSMN1; SMN2NR4A2
SCHEMBL5770831 0.79 NR4A2 (0.52) ALDH1A1GAAHPGDSMN1; SMN2LMNA
SCHEMBL5774948 0.79 FFAR1 (0.51) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL5772543 0.79 CCNC (0.48) MAPTALDH1A1GAAHPGDKMT2A
SCHEMBL5774072 0.78 LMNA (0.54) MAPTALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL5773900 0.77 CYP1A2 (0.52) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2D6
SCHEMBL5773299 0.77 MAPT (0.54) MAPTALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL5776490 0.77 MEN1 (0.60) MAPTALDH1A1GAALMNACYP1A2
SCHEMBL5773585 0.76 ALDH1A1 (0.54) MAPTALDH1A1HPGDSMN1; SMN2LMNA

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 MAPT 4701/4885ALDH1A1 1045/4885GAA 2207/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885ALDH1A1 682/4885GAA 1930/4885

“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.