SCHEMBL221622

SCHEMBL221622

Cc1c([N+](=O)[O-])c[c]cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
TSHR P16473 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 1/20 0.43
CCR6 P51684 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 2/20 0.41
GPR35 Q9HC97 2/20 0.41
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL456292 0.89 TSHR (0.50) TDP1TSHRSMN1; SMN2HSD17B10CYP1A2
SCHEMBL27859853 0.85 TDP1 (0.42) TDP1TSHRSMN1; SMN2HSD17B10CCR6
SCHEMBL28047048 0.82 HSD17B10 (0.42) TDP1TSHRSMN1; SMN2HSD17B10CYP1A2
SCHEMBL27664795 0.78 TSHR (0.52) TDP1TSHRSMN1; SMN2HSD17B10CYP1A2
SCHEMBL57836 0.77 TSHR (0.40) TDP1TSHRHSD17B10CYP3A4GPR35
SCHEMBL27631150 0.76 CYP1A2 (0.48) TDP1TSHRSMN1; SMN2HSD17B10CYP1A2
SCHEMBL28006835 0.76 HSD17B10 (0.41) TDP1TSHRSMN1; SMN2HSD17B10CYP1A2
SCHEMBL7615798 0.75 TDP1 (0.40) TDP1TSHRSMN1; SMN2HSD17B10CYP3A4
SCHEMBL7232153 0.75 VCAM1 (0.52) TDP1TSHRCYP3A4GPR35ALDH1A1
SCHEMBL3036771 0.75 GPR35 (0.56) TDP1HSD17B10CYP1A2CYP3A4GPR35

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-10-15 US claimed
EP-1933834-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-06-25 EP claimed
EP-1910362-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP claimed
WO-2007042816-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-04-19 WO claimed
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US claimed
WO-2007019345-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO claimed
US-6136825-A ANTIDEPRESSANTS AND CENTRAL NERVOUS SYSTEM AGENTS KNOLL AKTIENGESELLSCHAFT 2000-10-24 US claimed
EP-0948498-A1 SULFONAMIDE COMPOUNDS HAVING 5-HT RECEPTOR ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1999-10-13 EP claimed
WO-1998029411-A1 SULFONAMIDE COMPOUNDS HAVING 5-HT RECEPTOR ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-09 WO claimed
EP-1910362-B1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-17 EP disclosed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
EP-2468752-A1 Thiazolopyridine derivatives as sirtuin-modulators Sirtris Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
US-8178536-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8163908-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
EP-0510442-A1 Substituted 1-sulfonyloxy-2-pyridones, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-28 EP disclosed
EP-0457803-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1991-11-27 EP disclosed
WO-1990009381-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-08-23 WO disclosed
EP-0051818-B1 PROCESS FOR THE PRODUCTION OF DISCHARGE-RESIST PRINTS ON TEXTILE MATERIALS CASSELLA Aktiengesellschaft (DE) 1985-09-04 EP disclosed
US-4398913-A ALKALINE PASTES CASSELLA AKTIENGESELLSCHAFT (DE) 1983-08-16 US disclosed
EP-0051818-A1 Process for the production of discharge-resist prints on textile materials CASSELLA Aktiengesellschaft (DE) 1982-05-19 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-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRT2, SIRT1, SIRT3 TDP1 613/4885TSHR 3079/4885SMN1; SMN2 1160/4885
US-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 TDP1 2401/4885TSHR 3275/4885SMN1; SMN2 2389/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 TDP1 1028/4885TSHR 2691/4885SMN1; SMN2 1572/4885

“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.