SCHEMBL5776626

SCHEMBL5776626

Cc1nnc(NC(=O)CCc2cnoc2-c2ccc(C(F)(F)F)cc2)nc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 3/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
THRB P10828 1/20 0.38
PIM1 P11309 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
AGTR1 P30556 1/20 0.38
CCKBR P32239 1/20 0.38
MC4R P32245 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 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
SCHEMBL5774026 0.89 KDM4E (0.38) TP53MAPTLMNATHRBTSHR
SCHEMBL5776288 0.80 PKM (0.49) SMN1; SMN2TP53MAPTNPC1LMNA
SCHEMBL5775672 0.79 MAPT (0.50) SMN1; SMN2TP53MAPTNPC1GMNN
SCHEMBL5773606 0.79 MAPT (0.48) SMN1; SMN2TP53MAPTNPC1GMNN
SCHEMBL5773332 0.79 CNR2 (0.51) SMN1; SMN2TP53MAPTNPC1GMNN
SCHEMBL5772904 0.78 TP53 (0.48) SMN1; SMN2TP53MAPTNPC1GMNN
SCHEMBL5772042 0.77 HDAC1 (0.48) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL5771681 0.77 TRPV1 (0.43) SMN1; SMN2TP53MAPTNPC1GMNN
SCHEMBL5773119 0.77 MAPT (0.55) SMN1; SMN2TP53MAPTLMNAHTT
SCHEMBL5770989 0.76 TSHR (0.43) SMN1; SMN2TP53MAPTNPC1PIM1

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 SMN1; SMN2 3383/4885TP53 4371/4885MAPT 4701/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SMN1; SMN2 2449/4885TP53 4446/4885MAPT 4763/4885

“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.