SCHEMBL2136609

SCHEMBL2136609

COc1ccc(-c2nc3ccccc3s2)cc1C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.73
SMN1; SMN2 Q16637 9/20 0.73
KDM4E B2RXH2 6/20 0.73
ALDH1A1 P00352 5/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
TP53 P04637 4/20 0.73
HPGD P15428 3/20 0.73
NPC1 O15118 3/20 0.73
HCRTR1 O43613 2/20 0.73
BLM P54132 2/20 0.73
MAPK1 P28482 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
HSD17B10 Q99714 1/20 0.73
RAB9A P51151 4/20 0.69
GLA P06280 2/20 0.69
GAA P10253 2/20 0.69
PPARG P37231 1/20 0.69
NCOA2 Q15596 1/20 0.69
NCOA1 Q15788 1/20 0.69

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
SCHEMBL4799251 0.88 KDM4E (0.77) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL2247388 0.84 SMN1; SMN2 (1.00) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL2241976 0.84 SMN1; SMN2 (0.71) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL14966433 0.84 MAPT (0.71) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL30504076 0.84 SMN1; SMN2 (1.00) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL14156493 0.83 MAPT (0.65) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL4797737 0.82 AHR (0.81) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL13198323 0.82 SMN1; SMN2 (0.54) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL12797471 0.82 MAPT (0.54) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL4602210 0.82 KDM4E (0.71) MAPTSMN1; SMN2KDM4EALDH1A1MEN1

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 MAPT 3403/4885SMN1; SMN2 4152/4885KDM4E 3428/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR MAPT 3403/4885SMN1; SMN2 4152/4885KDM4E 3428/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR MAPT 3403/4885SMN1; SMN2 4152/4885KDM4E 3428/4885

“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.