SCHEMBL3545813

SCHEMBL3545813

O=C(O)c1cnn(-c2ccccc2)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
POLB P06746 2/20 0.62
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.50
HIF1A Q16665 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NR4A3 Q92570 1/20 0.48
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRM5 P41594 1/20 0.44

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
SCHEMBL4497271 0.85 ALDH1A1 (0.65) MAPTSMN1; SMN2POLBALDH1A1MEN1
SCHEMBL15750441 0.85 LMNA (0.58) MAPTSMN1; SMN2POLBALDH1A1LMNA
SCHEMBL31276340 0.79 HIF1A (0.50) MAPTSMN1; SMN2POLBALDH1A1LMNA
SCHEMBL2300679 0.77 MAPT (0.78) MAPTSMN1; SMN2POLBALDH1A1LMNA
SCHEMBL595690 0.77 MAPT (1.00) MAPTSMN1; SMN2POLBALDH1A1LMNA
SCHEMBL7806742 0.76 MAPT (0.55) MAPTSMN1; SMN2POLBALDH1A1LMNA
SCHEMBL6052118 0.76 MAPT (0.55) MAPTSMN1; SMN2POLBLMNAKDM4E
SCHEMBL7221298 0.75 MAPK14 (0.53) MAPTSMN1; SMN2POLBALDH1A1LMNA
SCHEMBL2853100 0.75 POLB (0.64) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL15750496 0.74 RIPK2 (0.58) MAPTSMN1; SMN2POLBALDH1A1LMNA

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-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 MAPT 3715/4885SMN1; SMN2 3710/4885POLB 2575/4885

“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.