SCHEMBL2140306

SCHEMBL2140306

COc1cc2nc(-c3ccccc3)oc2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.58
KDM4E B2RXH2 4/20 0.58
HPGD P15428 4/20 0.58
RAB9A P51151 3/20 0.58
CASP3 P42574 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
SENP6 Q9GZR1 2/20 0.58
POLB P06746 1/20 0.58
SENP8 Q96LD8 1/20 0.58
PTPN2 P17706 3/20 0.54
PTPN1 P18031 3/20 0.54
PTPN5 P54829 3/20 0.54
PDE10A Q9Y233 1/20 0.54
ALOX5 P09917 1/20 0.54
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
KDR P35968 2/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52

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
SCHEMBL12682368 0.84 ALOX5 (0.74) NPC1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL9018554 0.82 NPC1 (0.68) NPC1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL15413714 0.81 NPC1 (0.66) NPC1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL28559369 0.79 SMN1; SMN2 (0.66) NPC1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL903716 0.79 NPC1 (0.64) NPC1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL8499615 0.79 KMT2A (0.70) NPC1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL18593393 0.79 NPC1 (0.45) NPC1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL18583160 0.78 SMN1; SMN2 (0.68) NPC1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL26745313 0.78 SMN1; SMN2 (0.67) NPC1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL9683245 0.78 NPC1 (0.62) NPC1SMN1; SMN2KDM4EHPGDRAB9A

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 NPC1 4102/4885SMN1; SMN2 4152/4885KDM4E 3428/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR NPC1 4102/4885SMN1; SMN2 4152/4885KDM4E 3428/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR NPC1 4102/4885SMN1; 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.