SCHEMBL1895643

SCHEMBL1895643

CCOC(=O)c1cncc(-c2cccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
MMP2 P08253 1/20 0.56
MMP13 P45452 1/20 0.56
MMP14 P50281 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 2/20 0.50
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
DCTPP1 Q9H773 1/20 0.50
TP53 P04637 1/20 0.50
CDC7 O00311 1/20 0.50
DBF4 Q9UBU7 1/20 0.50
KMO O15229 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49

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
SCHEMBL10028690 0.99 ALDH1A1 (0.56) CYP2C9CYP2C19ALDH1A1MAPTMMP2
SCHEMBL5372083 0.88 CYP2C9 (0.65) CYP2C9CYP2C19ALDH1A1MAPTKDM4E
SCHEMBL5735824 0.85 MKNK1 (0.59) CYP2C9CYP2C19ALDH1A1MAPTMMP2
SCHEMBL4746475 0.85 ALDH1A1 (0.57) CYP2C9CYP2C19ALDH1A1MAPTMMP2
SCHEMBL29771391 0.84 ALDH1A1 (0.68) ALDH1A1LMNAMKNK1MKNK2KMO
SCHEMBL31704881 0.84 ALDH1A1 (0.68) ALDH1A1LMNAMKNK1MKNK2KMO
SCHEMBL31705350 0.84 ALDH1A1 (0.68) ALDH1A1LMNAMKNK1MKNK2KMO
SCHEMBL3714867 0.84 ALDH1A1 (0.68) ALDH1A1LMNAMKNK1MKNK2KMO
SCHEMBL31418275 0.83 CYP2C9 (0.55) CYP2C9CYP2C19ALDH1A1MAPTNPC1
Ethyl Nicotinate SCHEMBL24853 0.83 L3MBTL1 (0.71) ALDH1A1MAPTL3MBTL1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222686-B1 POLYVIOLOGEN BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS MEDTRONIC MINIMED INC (US) 2015-06-17 EP disclosed
US-8951503-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-10 US disclosed
US-8951503-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-10 US disclosed
US-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-16 US disclosed
US-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-16 US disclosed
US-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-16 US disclosed
US-8394357-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-12 US disclosed
US-8394357-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-12 US disclosed
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-12 US disclosed
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-12 US disclosed
WO-2009009756-A2 POLYVIOLOGEN BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS, INC. (US) 2009-01-15 WO disclosed
US-7470420-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-12-30 US disclosed
US-7470420-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-12-30 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
WO-2007067743-A2 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS-II THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-14 WO disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
EP-1404693-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2004-04-07 EP disclosed
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US disclosed
WO-2003004509-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2003-01-16 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 (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-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB CYP2C9 2229/4885CYP2C19 2529/4885ALDH1A1 1006/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL CYP2C9 18/4885CYP2C19 30/4885ALDH1A1 4150/4885
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB CYP2C9 2229/4885CYP2C19 2529/4885ALDH1A1 1006/4885

“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.