SCHEMBL2137383

SCHEMBL2137383

COc1cccc2nc(-c3ccccc3)oc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.54
NPC1 O15118 7/20 0.52
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
C1R P00736 1/20 0.51
HPGD P15428 5/20 0.51
KMT2A Q03164 2/20 0.51
F2 P00734 1/20 0.51
MEN1 O00255 1/20 0.50
ELANE P08246 1/20 0.50
PKM P14618 1/20 0.48
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTPN2 P17706 2/20 0.47

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
SCHEMBL27547396 0.88 RAB9A (0.49) NPC1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL27520950 0.85 ALDH1A1 (0.64) NPC1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL7304362 0.82 DHODH (0.56) DHODHNPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30594910 0.80 DHODH (0.54) DHODHNPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31570210 0.79 ELANE (0.65) NPC1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL13865472 0.79 ESR2 (0.82) ALDH1A1KDM4EESR1ESR2HPGD
SCHEMBL6655585 0.79 ELANE (0.65) NPC1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL29138308 0.79 C1R (0.53) DHODHNPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2587399 0.78 DHODH (0.58) DHODHNPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL20413954 0.78 JAK2 (0.48) DHODHNPC1ALDH1A1KDM4ESMN1; SMN2

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 9 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
CN-1293042-C Aromatic amino acid derivative and pharmaceutical composition thereof HITOSHI ENDOU (JP) 2007-01-03 CN disclosed
CN-1630632-A Aromatic amino acid derivative and pharmaceutical composition thereof HITOSHI ENDOU (JP) 2005-06-22 CN 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 DHODH 657/4885NPC1 4102/4885ALDH1A1 1191/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR DHODH 657/4885NPC1 4102/4885ALDH1A1 1191/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR DHODH 657/4885NPC1 4102/4885ALDH1A1 1191/4885

“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.