SCHEMBL5773357

SCHEMBL5773357

O=C(N(CCCc1cnoc1-c1ccc(C(F)(F)F)cc1)CCNc1ccc([N+](=O)[O-])cn1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 1/20 0.36
DPP4 P27487 4/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
DPP7 Q9UHL4 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL5775561 0.81 FAAH (0.39) MAPTLMNAALDH1A1HDAC2HDAC8
Trifluoroacetic Acid SCHEMBL5773351 0.81 POLB (0.43) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5776662 0.76 TRPV1 (0.37) SMN1; SMN2LMNARAB9AHTTNPC1
SCHEMBL5774056 0.75 TRPV1 (0.38) HDAC2HDAC8
SCHEMBL5775722 0.75 GSK3B (0.41) SMN1; SMN2KCNH2HDAC2HDAC8
SCHEMBL5774849 0.73 HDAC4 (0.33) MAPTKMT2ALMNARAB9AKCNH2
SCHEMBL5772985 0.73 GSK3B (0.41) SMN1; SMN2HDAC2HDAC8
SCHEMBL5907124 0.73 FAAH (0.36) HDAC2HDAC8
SCHEMBL5774573 0.72 LMNA (0.40) KMT2ALMNARAB9ANPC1HDAC2
SCHEMBL5773874 0.72 MAPT (0.42) MAPTSMN1; SMN2

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 3 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
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 (1 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 POLB 3996/4885MAPT 4701/4885SMN1; SMN2 3383/4885

“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.