SCHEMBL1098527

SCHEMBL1098527

COc1cc(CO)cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TTR P02766 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
ALOX5 P09917 1/20 0.43
DAO P14920 1/20 0.42
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
ERN1 O75460 1/20 0.41
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14784788 0.86 TSHR (0.51) MEN1KMT2AMAPTLMNAHTT
SCHEMBL16951504 0.85 MAPT (0.50) MEN1KMT2AMAPTLMNAHTT
SCHEMBL16955456 0.83 CYP4F2 (0.58) MEN1KMT2AMAPTLMNAHTT
SCHEMBL16960812 0.83 HTR2A (0.45) MEN1KMT2AMAPTLMNAHTT
SCHEMBL716259 0.82 CYP19A1 (0.54) MEN1KMT2AMAPTLMNAHTT
SCHEMBL561018 0.82 CYP19A1 (0.48) MEN1KMT2AMAPTLMNAHTT
SCHEMBL8008016 0.82 PTGS1 (0.59) MEN1KMT2AMAPTLMNAHTT
SCHEMBL309863 0.82 LMNA (0.61) MEN1KMT2AMAPTLMNAHTT
SCHEMBL16953815 0.82 MAPT (0.44) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL3508166 0.82 LOXL2 (0.48) MEN1KMT2AMAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107973727-B M-disubstituted phenol compound, preparation method and anti-tubercle bacillus application thereof 中山大学 2020-04-17 CN disclosed
US-9527852-B2 Phenyl-urea and phenyl-carbamate derivatives as inhibitors of protein aggregation NEUROPORE THERAPIES, INC. (US) 2016-12-27 US disclosed
US-9487524-B2 2016-11-08 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20150166543-A1 PHENYL-UREA AND PHENYL-CARBAMATE DERIVATIVES AS INHIBITORS OF PROTEIN AGGREGATION UCB BIOPHARMA SPRL (BE) 2015-06-18 US disclosed
EP-2830608-A1 PHENYL-UREA AND PHENYL-CARBAMATE DERIVATIVES AS INHIBITORS OF PROTEIN AGGREGATION Neuropore Therapies, Inc. (US) 2015-02-04 EP disclosed
WO-2013148365-A1 PHENYL-UREA AND PHENYL-CARBAMATE DERIVATIVES AS INHIBITORS OF PROTEIN AGGREGATION NEUROPORE THERAPIES, INC. (US) 2013-10-03 WO disclosed
US-8299267-B2 (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating COMENTIS, INC. (US) 2012-10-30 US disclosed
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-2205596-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2010-07-14 EP disclosed
EP-2178837-A2 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-04-28 EP disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US disclosed
WO-2009042694-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2009-04-02 WO disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 WO disclosed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 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 (4 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-20150166543-A1 PHENYL-UREA AND PHENYL-CARBAMATE DERIVATIVES AS INHIBITORS OF PROTEIN AGGREGATION PARK7, PRNP, MAPT MEN1 4254/4885KMT2A 1312/4885MAPT 3/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 MEN1 763/4885KMT2A 2980/4885MAPT 3649/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 MEN1 662/4885KMT2A 3566/4885MAPT 3010/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 MEN1 572/4885KMT2A 3693/4885MAPT 2983/4885

“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.