SCHEMBL10137210

SCHEMBL10137210

C=C(C)C(=O)NCCc1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
RAB9A P51151 4/20 0.56
NPC1 O15118 2/20 0.56
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.48
HTT P42858 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
F13A1 P00488 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL14335950 0.90 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1HDAC2HDAC8
SCHEMBL1027588 0.84 HTT (0.66) SMN1; SMN2RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL424305 0.84 KDM4E (0.65) SMN1; SMN2RAB9ANPC1HDAC2HDAC8
SCHEMBL1027805 0.82 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL4575937 0.81 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1HDAC2HDAC8
SCHEMBL105520 0.81 KDM4E (0.71) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL424304 0.80 HDAC2 (0.58) SMN1; SMN2RAB9ANPC1HDAC2HDAC8
SCHEMBL1979285 0.79 KDM4E (0.46) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL15359146 0.79 ESRRG (0.54) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL334426 0.78 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-7968714-B2 Optical determination of glucose utilizing boronic acid adducts REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-28 US disclosed
US-7968714-B2 Optical determination of glucose utilizing boronic acid adducts REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-28 US disclosed
EP-2259061-A2 Boronic acid derivatives The Regents of The University of California (US) 2010-12-08 EP disclosed
US-20090148956-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 US disclosed
US-20090149656-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 US disclosed
US-20090148956-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 US disclosed
US-20090148344-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 US disclosed
US-20090149656-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 US disclosed
US-20090148344-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 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-7470420-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-12-30 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

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 SMN1; SMN2 804/4885RAB9A 2858/4885NPC1 4275/4885
US-20090149656-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB SMN1; SMN2 804/4885RAB9A 2858/4885NPC1 4275/4885
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB SMN1; SMN2 804/4885RAB9A 2858/4885NPC1 4275/4885

“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.