SCHEMBL161867

SCHEMBL161867

CCOC(=O)C(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 6/20 0.50
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
AR P10275 1/20 0.47
MEN1 O00255 1/20 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
SCHEMBL8357967 0.86 LMNA (0.53) LMNAALDH1A1KMT2AMAPTKCNJ1
SCHEMBL398701 0.85 LMNA (0.73) LMNAALDH1A1KMT2AMAPTKCNJ1
SCHEMBL7056969 0.84 KCNJ1 (0.54) LMNAALDH1A1KMT2AMAPTKCNJ1
SCHEMBL1984377 0.84 LMNA (0.71) LMNAALDH1A1KMT2AMAPTKCNJ1
SCHEMBL7638421 0.84 NPC1 (0.49) LMNAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL12694041 0.84 LMNA (0.51) LMNAALDH1A1KMT2AMAPTKCNJ1
SCHEMBL7634110 0.83 ALDH1A1 (0.53) LMNAALDH1A1KMT2AMAPTCYP1A2
SCHEMBL20109355 0.83 LMNA (0.50) LMNAALDH1A1KMT2AMAPTKCNJ1
SCHEMBL7179728 0.82 GLO1 (0.56) LMNAALDH1A1KMT2AMAPTCYP1A2
SCHEMBL3883309 0.81 LMNA (0.54) LMNAALDH1A1MAPTKCNJ1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109734708-A Pyrimidine indoles Nur77 receptor modulators and its preparation method and application 厦门大学 2019-05-10 CN claimed
CN-104829597-B 1H- indoles -2- carbohydrazide derivatives and its preparation method and application 厦门大学 2018-07-17 CN claimed
CN-107739368-A N substitutions 5((The base of 4 substituted pyrimidines 2)Amino)Indole derivatives and its production and use 厦门大学 2018-02-27 CN claimed
US-4390702-A 3-Substituted-3-fluoropyruvic acids and their esters and salts, and production thereof DAIKAN KOGYO CO., LTD. (JP) 1983-06-28 US claimed
CN-109734708-A Pyrimidine indoles Nur77 receptor modulators and its preparation method and application 厦门大学 2019-05-10 CN disclosed
CN-105348170-B 1- (2- (carbohydrazide substituent group) -1H- indoles -5- base) -3- substituted urea derivative and preparation method 厦门大学 2019-02-05 CN disclosed
CN-105348170-B 1- (2- (carbohydrazide substituent group) -1H- indoles -5- base) -3- substituted urea derivative and preparation method 厦门大学 2019-02-05 CN disclosed
CN-104860866-B 5- (substitution carbon acylamino) -1H- indoles -2- carbohydrazide derivatives and its preparation method and application 厦门大学 2018-07-17 CN disclosed
CN-104829597-B 1H- indoles -2- carbohydrazide derivatives and its preparation method and application 厦门大学 2018-07-17 CN disclosed
CN-107739368-A N substitutions 5((The base of 4 substituted pyrimidines 2)Amino)Indole derivatives and its production and use 厦门大学 2018-02-27 CN disclosed
EP-2188267-B1 SUBSTITUTED AMIDES, METHODS OF MAKING, USE THEREOF FOR THE TREATMENT OF DISEASES SUCH AS CANCER GILEAD CONNECTICUT INC (US) 2016-08-03 EP disclosed
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
WO-2009039397-A2 SUBSTITUTED AMIDES, METHODS OF MAKING, USE THEREOF FOR THE TREATMENT OF DISEASES SUCH AS CANCER CGI PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2009-03-26 US disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed
US-4607041-A CARDIOTONIC AGENTS FISONS PLC (GB) 1986-08-19 US disclosed
EP-0031982-B1 3-SUBSTITUTED-3-FLUOROPYRUVIC ACIDS AND THEIR ESTERS AND SALTS, AND PRODUCTION THEREOF Daikin Kogyo Co., Ltd. (JP) 1985-06-05 EP disclosed
US-4390702-A 3-Substituted-3-fluoropyruvic acids and their esters and salts, and production thereof DAIKAN KOGYO CO., LTD. (JP) 1983-06-28 US disclosed
EP-0031982-A2 3-Substituted-3-fluoropyruvic acids and their esters and salts, and production thereof Daikin Kogyo Co., Ltd. (JP) 1981-07-15 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 (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-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, MYD88 LMNA 4162/4885ALDH1A1 3393/4885KMT2A 1618/4885

“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.