SCHEMBL2136335

SCHEMBL2136335

COc1cc(-c2ccccc2)nc(OC)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.79
KMT2A Q03164 4/20 0.79
TSHR P16473 2/20 0.79
ATM Q13315 2/20 0.79
MAPT P10636 1/20 0.79
ALDH1A1 P00352 4/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
MAPK1 P28482 3/20 0.61
KDM4E B2RXH2 3/20 0.61
HSD17B10 Q99714 2/20 0.61
HPGD P15428 2/20 0.61
USP2 O75604 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
SQOR Q9Y6N5 2/20 0.49
TDP1 Q9NUW8 3/20 0.47
FFAR2 O15552 1/20 0.45
ACACA Q13085 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
SCHEMBL2035547 0.82 MEN1 (0.53) MEN1KMT2ATSHRATMMAPT
SCHEMBL15080589 0.81 MEN1 (0.79) MEN1KMT2ATSHRATMMAPT
SCHEMBL13019371 0.81 ALDH1A1 (0.67) MEN1KMT2ATSHRATMMAPT
SCHEMBL2037182 0.80 LMNA (0.55) MEN1KMT2ATSHRATMMAPT
SCHEMBL14393036 0.80 MEN1 (0.76) MEN1KMT2ATSHRATMMAPT
SCHEMBL21379837 0.80 MEN1 (0.76) MEN1KMT2ATSHRATMMAPT
SCHEMBL3306611 0.80 MEN1 (0.76) MEN1KMT2ATSHRATMMAPT
SCHEMBL17372960 0.79 NPC1 (0.64) MEN1KMT2ATSHRATMMAPT
SCHEMBL16179950 0.78 PTGDR (0.51) MEN1KMT2ATSHRATMMAPT
SCHEMBL14909356 0.78 ALDH1A1 (0.72) MEN1KMT2ATSHRATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP 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 (3 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR MEN1 3325/4885KMT2A 575/4885TSHR 915/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR MEN1 3325/4885KMT2A 575/4885TSHR 915/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR MEN1 3325/4885KMT2A 575/4885TSHR 915/4885

“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.