SCHEMBL6132456

SCHEMBL6132456

COc1ccc(-c2nc(OC3CCCCC3)nn2-c2ccc(OC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.67
PTGS1 P23219 5/20 0.67
MALT1 Q9UDY8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE4D Q08499 1/20 0.41
FAAH O00519 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL6681046 0.94 PTGS2 (0.60) PTGS2PTGS1MALT1L3MBTL1CNR1
SCHEMBL6680833 0.90 PTGS1 (0.55) PTGS2PTGS1MALT1L3MBTL1CNR1
SCHEMBL3356012 0.89 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6682877 0.89 PTGS1 (0.56) PTGS2PTGS1MALT1L3MBTL1CNR1
SCHEMBL4247525 0.88 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6687277 0.85 PTGS2 (0.51) PTGS2PTGS1MALT1L3MBTL1PDE4D
SCHEMBL6686639 0.81 RAB9A (0.53) PTGS2PTGS1MALT1ALDH1A1HPGD
SCHEMBL1193845 0.81 PTGS2 (1.00) PTGS2PTGS1MALT1L3MBTL1LMNA
SCHEMBL6682055 0.78 PTGS1 (0.42) PTGS2PTGS1
SCHEMBL6687347 0.78 PTGS1 (0.56) PTGS2PTGS1MALT1L3MBTL1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US claimed
US-20130137739-A1 SOLID DISPERSION COMPRISING TRIAZOLE COMPOUND ASTELLAS PHARMA, INC. 2013-05-30 US disclosed
EP-2581084-A1 SOLID DISPERSION COMPRISING TRIAZOLE COMPOUND Astellas Pharma Inc. (JP) 2013-04-17 EP disclosed
US-6927230-B2 Triazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-09 US disclosed
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 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 (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-20030191155-A1 Triazole derivatives CBR1, CBR3, CYP1B1 PTGS2 2680/4885PTGS1 1504/4885MALT1 71/4885
US-20130137739-A1 SOLID DISPERSION COMPRISING TRIAZOLE COMPOUND CYP3A4, CYP3A43, CYP3A7 PTGS2 3116/4885PTGS1 2201/4885MALT1 840/4885

“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.