SCHEMBL6034597

SCHEMBL6034597

CCOC(=O)CCc1cn(-c2ccc(C(F)(F)F)cn2)nc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 2/20 0.43
GAA P10253 1/20 0.40
GCGR P47871 1/20 0.38
FPR2 P25090 1/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GCG P01275 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
APAF1 O14727 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PANK3 Q9H999 1/20 0.36
HDAC4 P56524 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL6034508 0.92 SMN1; SMN2 (0.45) SMN1; SMN2HPGDMAPTNPC1RAB9A
SCHEMBL6035751 0.92 SMN1; SMN2 (0.45) SMN1; SMN2HPGDMAPTNPC1RAB9A
SCHEMBL6036242 0.91 SMN1; SMN2 (0.46) SMN1; SMN2HPGDMAPTNPC1RAB9A
SCHEMBL6035563 0.88 SMN1; SMN2 (0.50) SMN1; SMN2HPGDMAPTNPC1RAB9A
SCHEMBL6035573 0.86 DDX3X (0.41) SMN1; SMN2NPC1RAB9APOLBFPR2
SCHEMBL6035283 0.85 L3MBTL1 (0.41) MAPTPOLBGAAFPR2HRH3
SCHEMBL6036282 0.85 SMN1; SMN2 (0.47) SMN1; SMN2HPGDMAPTNPC1RAB9A
SCHEMBL6035780 0.85 CYP4F2 (0.38) MAPTNPC1RAB9APOLBGAA
SCHEMBL6035631 0.85 CYP4F2 (0.38) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL6034778 0.83 SMN1; SMN2 (0.46) SMN1; SMN2HPGDMAPTNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 SMN1; SMN2 4408/4885HPGD 3297/4885MAPT 4741/4885

“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.