SCHEMBL6036094

SCHEMBL6036094

CCC(C)c1nn(-c2ccc(C(F)(F)F)cn2)cc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TIPARP Q7Z3E1 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CHRNA7 P36544 1/20 0.36
MEN1 O00255 1/20 0.35
AGTR1 P30556 1/20 0.35
KMT2A Q03164 1/20 0.35
GCGR P47871 1/20 0.35
KDM4E B2RXH2 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
APAF1 O14727 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL6035785 0.91 GCGR (0.41) SMN1; SMN2MAPTLMNATP53HPGD
SCHEMBL6036247 0.89 SMN1; SMN2 (0.39) SMN1; SMN2MAPTLMNATP53HPGD
SCHEMBL6035221 0.89 CNR1 (0.40) SMN1; SMN2MAPTLMNAHPGDCNR1
SCHEMBL6036267 0.89 SMN1; SMN2 (0.39) SMN1; SMN2MAPTLMNATP53HPGD
SCHEMBL6034508 0.82 SMN1; SMN2 (0.45) SMN1; SMN2MAPTLMNATP53HPGD
SCHEMBL6035148 0.81 GCGR (0.39) SMN1; SMN2MAPTLMNATP53HPGD
SCHEMBL6035022 0.81 SMN1; SMN2 (0.41) SMN1; SMN2MAPTLMNATP53HPGD
SCHEMBL3087656 0.80 NPC1 (0.43) SMN1; SMN2MAPTLMNAHPGDCNR1
SCHEMBL6035380 0.80 CNR1 (0.39) SMN1; SMN2MAPTLMNAHPGDCNR1
SCHEMBL6035475 0.79 SMN1; SMN2 (0.36) SMN1; SMN2MAPTLMNATP53HPGD

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 4408/4885MAPT 4741/4885LMNA 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.