SCHEMBL5776115

SCHEMBL5776115

O=C(CCc1cnoc1-c1ccc(F)cc1)NCC1CCCO1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
POLB P06746 2/20 0.56
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 3/20 0.53
HPGD P15428 7/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.52
USP2 O75604 2/20 0.52
KMT2A Q03164 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MITF O75030 1/20 0.51
HTT P42858 1/20 0.51
KLF5 Q13887 1/20 0.51
RXFP1 Q9HBX9 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALOX15 P16050 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL5775136 0.85 BACE1 (0.47) LMNAPOLBKDM4EKMT2ARAB9A
SCHEMBL5774126 0.79 MEN1 (0.43) LMNAPOLBHPGDALDH1A1USP2
SCHEMBL5777123 0.79 HPGD (0.50) LMNAPOLBHPGDALDH1A1USP2
SCHEMBL5773415 0.76 MTNR1A (0.38) LMNAPOLBKDM4EHPGDALDH1A1
SCHEMBL5774072 0.75 LMNA (0.54) LMNAPOLBKDM4EHPGDALDH1A1
SCHEMBL5773408 0.75 LMNA (0.48) LMNAPOLBKDM4EHPGDUSP2
SCHEMBL5769962 0.74 SMN1; SMN2 (0.41) LMNAKDM4EHPGDALDH1A1MAPT
SCHEMBL5775822 0.74 HPGD (0.49) LMNAPOLBKDM4EHPGDALDH1A1
SCHEMBL5773900 0.74 CYP1A2 (0.52) KDM4EHPGDALDH1A1KMT2ARAB9A
SCHEMBL5774227 0.74 ALDH1A1 (0.38) LMNAPOLBHPGDALDH1A1MAPT

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 2770/4885POLB 3996/4885KDM4E 3953/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 LMNA 2605/4885POLB 3909/4885KDM4E 3347/4885

“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.