SCHEMBL2660487

SCHEMBL2660487

CC(C)(C)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.54
MAPT P10636 6/20 0.54
LMNA P02545 5/20 0.54
ALDH1A1 P00352 5/20 0.54
RAB9A P51151 4/20 0.54
HTT P42858 3/20 0.54
NPC1 O15118 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HSD11B1 P28845 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ACHE P22303 1/20 0.50
CA12 O43570 1/20 0.50
CA14 Q9ULX7 1/20 0.50
APP P05067 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.48

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
SCHEMBL397351 0.94 HSD17B10 (0.56) NPBWR1MAPTLMNAALDH1A1RAB9A
Methoxymethane SCHEMBL27492761 0.88 ALDH1A1 (0.51) NPBWR1MAPTLMNAALDH1A1RAB9A
P-Nitrophenol SCHEMBL28178085 0.84 LMNA (0.61) MAPTLMNAALDH1A1RAB9AHTT
SCHEMBL27496976 0.84 LMNA (0.61) MAPTLMNAALDH1A1RAB9AHTT
SCHEMBL19025570 0.84 HSD11B1 (0.51) MAPTLMNAALDH1A1HSD11B1CA1
Nitrous Acid SCHEMBL29013333 0.84 ALDH1A1 (0.49) NPBWR1MAPTLMNAALDH1A1RAB9A
SCHEMBL1623770 0.83 KIF11 (0.50) NPBWR1MAPTLMNAALDH1A1RAB9A
SCHEMBL4670068 0.82 HSPB1 (0.59) MAPTLMNAALDH1A1RAB9AHTT
SCHEMBL5026702 0.82 MAPT (0.59) NPBWR1MAPTLMNAALDH1A1RAB9A
SCHEMBL1622291 0.82 MAPT (0.56) NPBWR1MAPTLMNAALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951661-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2012-08-08 EP disclosed
US-7696248-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-04-13 US disclosed
US-20080300308-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-12-04 US disclosed
EP-1951661-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2008-08-06 EP disclosed
WO-2007106181-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-09-20 WO 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 (1 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-20080300308-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR NPBWR1 286/4885MAPT 4737/4885LMNA 3687/4885

“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.