SCHEMBL2137448

SCHEMBL2137448

Cc1ccc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.67
ACHE P22303 2/20 0.61
HSD17B10 Q99714 1/20 0.61
TSHR P16473 6/20 0.56
HPRT1 P00492 1/20 0.54
LMNA P02545 2/20 0.46
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
NFKB1 P19838 1/20 0.46
NPBWR1 P48145 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NFE2L2 Q16236 1/20 0.46

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
SCHEMBL628918 0.85 ACHE (0.86) ACHEHSD17B10TSHRHPRT1LMNA
SCHEMBL311273 0.83 DHODH (0.51) CYP19A1ACHEHSD17B10TSHRHPRT1
SCHEMBL1036939 0.82 TSHR (0.63) ACHEHSD17B10TSHRHPRT1LMNA
SCHEMBL5958784 0.82 CYP19A1 (1.00) CYP19A1HSD17B10TSHRLMNAALDH1A1
SCHEMBL1724257 0.79 MAPT (0.46) CYP19A1ACHEHSD17B10TSHRHPRT1
SCHEMBL311833 0.79 MEN1 (0.53) LMNASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL27827943 0.79 CYP19A1 (0.67) CYP19A1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL28132957 0.79 CYP19A1 (0.67) CYP19A1TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL12717419 0.79 TSHR (0.61) CYP19A1ACHEHSD17B10TSHRHPRT1
SCHEMBL2333468 0.79 ACHE (0.55) CYP19A1ACHEHSD17B10TSHRLMNA

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 CYP19A1 199/4885ACHE 955/4885HSD17B10 225/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR CYP19A1 199/4885ACHE 955/4885HSD17B10 225/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR CYP19A1 199/4885ACHE 955/4885HSD17B10 225/4885

“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.