SCHEMBL5776036

SCHEMBL5776036

O=C(CCc1cnoc1-c1ccc(F)cc1)N1CCCCCCC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
NAAA Q02083 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL5774738 1.00 LMNA (0.46) LMNAHPGDALDH1A1MAPTRAB9A
SCHEMBL5773468 1.00 LMNA (0.46) LMNAHPGDALDH1A1MAPTRAB9A
SCHEMBL5774326 0.88 GABRA5 (0.39) LMNAHPGDALDH1A1MAPTRAB9A
SCHEMBL5771554 0.87 GRIN2B (0.40) LMNAHPGDALDH1A1MAPTRAB9A
SCHEMBL5796302 0.86 KMT2A (0.49) LMNAALDH1A1MAPTRAB9AKDM4E
SCHEMBL5799823 0.85 KMT2A (0.55) LMNAALDH1A1MAPTRAB9ANPC1
Trifluoroacetic Acid SCHEMBL5773673 0.84 KDM4E (0.43) LMNAHPGDALDH1A1MAPTKDM4E
SCHEMBL5776181 0.84 KDM4E (0.38) LMNAHPGDALDH1A1MAPTRAB9A
Trifluoroacetic Acid SCHEMBL5777361 0.83 MAPT (0.44) LMNAHPGDALDH1A1MAPTKDM4E
SCHEMBL5771819 0.83 RAB9A (0.42) LMNAMAPTRAB9ANPC1KDM4E

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 LMNA 2770/4885HPGD 1588/4885ALDH1A1 1045/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 LMNA 2605/4885HPGD 1307/4885ALDH1A1 682/4885

“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.