SCHEMBL3605776

SCHEMBL3605776

CCOC(=O)c1nc(C)n(-c2ccc(OC)c(C(F)(F)F)c2)c1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
CMA1 P23946 1/20 0.41
BRD9 Q9H8M2 1/20 0.40
GAA P10253 3/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GRM5 P41594 1/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRAF P15056 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4958802 0.78 ALDH1A1 (0.57) MAPTGAAALDH1A1GRM5SMN1; SMN2
SCHEMBL3595192 0.78 GRM5 (0.44) CNR1CNR2GAAGRM5MAPK1
SCHEMBL18356070 0.75 ELANE (0.50) MAPTLMNAALDH1A1GRM5HTT
SCHEMBL18355722 0.75 ALDH1A1 (0.60) LMNAALDH1A1POLBGRM5HTT
SCHEMBL18355727 0.75 ALDH1A1 (0.51) LMNAALDH1A1POLBSMN1; SMN2
SCHEMBL1078509 0.74 TP53 (0.58) MAPTCNR1CNR2GAAALDH1A1
SCHEMBL14776123 0.74 HSD17B2 (0.60) MAPTLMNAGAAALDH1A1POLB
SCHEMBL21606496 0.72 RORC (0.62) MAPTLMNABRD9
SCHEMBL3604654 0.68 GLA (0.45) MAPTLMNACNR1CNR2ALDH1A1
SCHEMBL18002627 0.68 RAB9A (0.54) MAPTLMNAGAAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293916-B2 Diazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-23 US disclosed
US-20100048569-A1 DIAZOLE DERIVATIVES BUETTELMANN BERND 2010-02-25 US disclosed
EP-1756086-B1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed
EP-1756086-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-20060030559-A1 Diazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2005118568-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-15 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 (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-20100048569-A1 DIAZOLE DERIVATIVES GRM1, GRM2, GRIN2B MAPT 1397/4885LMNA 3874/4885CNR1 106/4885
US-20060030559-A1 Diazole derivatives GRM1, GRM2, GRIN2B MAPT 1397/4885LMNA 3874/4885CNR1 106/4885

“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.