SCHEMBL5776587

SCHEMBL5776587

CSCCCNC(=O)CCc1cnoc1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 4/20 0.35
EPHX2 P34913 1/20 0.35
ACKR3 P25106 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL5773408 0.88 LMNA (0.48) LMNAUSP2TSHRSMN1; SMN2KDM4E
SCHEMBL5773717 0.83 L3MBTL1 (0.52) LMNATSHRHPGDNPC1RAB9A
SCHEMBL5775822 0.83 HPGD (0.49) LMNASMN1; SMN2KDM4EPOLBHPGD
SCHEMBL5772132 0.82 LMNA (0.54) LMNAUSP2TSHRSMN1; SMN2KDM4E
SCHEMBL5773900 0.81 CYP1A2 (0.52) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL5774005 0.80 LMNA (0.37) LMNAUSP2TSHRSMN1; SMN2KDM4E
SCHEMBL5773415 0.80 MTNR1A (0.38) LMNAUSP2TSHRSMN1; SMN2KDM4E
SCHEMBL5777105 0.79 TSHR (0.48) TSHRSMN1; SMN2KDM4EPOLBHPGD
Trifluoroacetic Acid SCHEMBL5774893 0.79 GAA (0.47) LMNAUSP2TSHRSMN1; SMN2HPGD
SCHEMBL5769962 0.78 SMN1; SMN2 (0.41) LMNASMN1; SMN2KDM4EHPGDNPC1

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 2770/4885USP2 3981/4885TSHR 534/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 LMNA 2605/4885USP2 3792/4885TSHR 583/4885

“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.