SCHEMBL6035388

SCHEMBL6035388

CCOc1nn(-c2ccc(C(F)(F)F)cn2)cc1CCOc1cc(CCC(=O)O)n(-c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
PPARD Q03181 6/20 0.36
PPARA Q07869 5/20 0.36
GCGR P47871 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
DGAT1 O75907 3/20 0.34
HDAC4 P56524 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
MDM2 Q00987 1/20 0.33
NR3C1 P04150 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
RXRA P19793 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
SCHEMBL1633424 0.96 SMN1; SMN2 (0.37) SMN1; SMN2KDM4ELMNAPPARDPPARA
SCHEMBL6035372 0.95 PPARD (0.36) SMN1; SMN2KDM4ELMNAPPARDPPARA
SCHEMBL6035191 0.89 MRGPRX4 (0.35) PPARDPPARAGCGRTHRATHRB
SCHEMBL6034853 0.86 PPARD (0.42) PPARDPPARADGAT1NR3C1THRA
SCHEMBL6035777 0.86 SMN1; SMN2 (0.37) SMN1; SMN2KDM4ELMNAPPARDPPARA
SCHEMBL6034689 0.86 PPARD (0.36) SMN1; SMN2PPARDPPARAGCGRHPGD
SCHEMBL6035370 0.85 GCGR (0.37) SMN1; SMN2KDM4ELMNAPPARDPPARA
SCHEMBL6034858 0.85 GCGR (0.36) SMN1; SMN2KDM4ELMNAPPARDPPARA
SCHEMBL6036323 0.84 LTB4R (0.38) KDM4EPPARDPPARAGCGRRXRA
SCHEMBL6034860 0.84 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ELMNAPPARDPPARA

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 1 patent. 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

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 4408/4885KDM4E 509/4885LMNA 1816/4885

“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.