SCHEMBL1913812

SCHEMBL1913812

CCOC(=O)c1c(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)sc2c1CCCC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.66
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
POLB P06746 1/20 0.65
MAPT P10636 7/20 0.65
TP53 P04637 3/20 0.65
ALDH1A1 P00352 7/20 0.57
KDM4E B2RXH2 6/20 0.57
USP2 O75604 2/20 0.57
ALOX15 P16050 2/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
HPGD P15428 6/20 0.56
MAPK1 P28482 4/20 0.56
HSD17B10 Q99714 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 1/20 0.56
NPSR1 Q6W5P4 3/20 0.55
GAA P10253 1/20 0.55
PTGER2 P43116 1/20 0.54

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
SCHEMBL13964421 0.92 CNR2 (0.69) CNR2MEN1KMT2APOLBMAPT
SCHEMBL16562060 0.87 MAPT (0.74) CNR2MEN1KMT2APOLBMAPT
SCHEMBL3914153 0.81 MEN1 (0.66) CNR2MEN1KMT2APOLBMAPT
SCHEMBL7892222 0.81 MAPT (0.84) CNR2MAPTTP53ALDH1A1KDM4E
SCHEMBL3914054 0.80 MAPT (0.82) CNR2MEN1KMT2AMAPTTP53
SCHEMBL3917114 0.80 MAPT (0.82) CNR2MAPTTP53ALDH1A1KDM4E
SCHEMBL3923796 0.79 MAPT (0.98) CNR2MEN1KMT2APOLBMAPT
SCHEMBL16562058 0.79 MAPT (0.80) CNR2MEN1KMT2AMAPTTP53
SCHEMBL21247199 0.79 MAPT (1.00) CNR2POLBMAPTTP53ALDH1A1
SCHEMBL3811334 0.79 MAPT (0.63) CNR2MEN1KMT2APOLBMAPT

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
US-10898516-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN UNIVERSITY (US) 2021-01-26 US disclosed
US-10568851-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-25 US disclosed
US-10426773-B2 Systems pharmacology for treating ocular disorders CASE WESTERN UNIVERSITY (US) 2019-10-01 US disclosed
EP-2509596-B1 GAMMA AMINOACIDS FOR TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2019-08-28 EP disclosed
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN UNIVERSITY 2019-08-22 US disclosed
US-10272106-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN RESERVE UNIVERSITY (US) 2019-04-30 US disclosed
US-20190099420-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS CASE WESTERN UNIVERSITY 2019-04-04 US disclosed
US-10208049-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-02-19 US disclosed
US-10117868-B2 Systems pharmacology for treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2018-11-06 US disclosed
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-05-17 US disclosed
WO-2015187942-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN RESERVE UNIVERSITY (US) 2015-12-10 WO disclosed
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2014-12-04 US disclosed
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-08-21 US disclosed
US-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2014-08-21 US disclosed
US-8722669-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-13 US disclosed
US-8507546-B2 Use of inhibitors of scavenger receptor class proteins for the treatment of infectious diseases INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2013-08-13 US disclosed
WO-2013063269-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-02 WO disclosed
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-22 US disclosed
EP-2509596-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS Case Western Reserve University (US) 2012-10-17 EP disclosed
WO-2011071995-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2011-06-16 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 (13 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-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TXNRD2, TXNRD1 CNR2 871/4885MEN1 4699/4885KMT2A 4342/4885
US-10426773-B2 Systems pharmacology for treating ocular disorders GRK1, MTNR1A, MTNR1B CNR2 54/4885MEN1 2477/4885KMT2A 4427/4885
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 CNR2 199/4885MEN1 4875/4885KMT2A 4662/4885
US-10272106-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 CNR2 199/4885MEN1 4875/4885KMT2A 4662/4885
US-20190099420-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS GRK1, MTNR1A, MTNR1B CNR2 54/4885MEN1 2477/4885KMT2A 4427/4885
US-10117868-B2 Systems pharmacology for treating ocular disorders GRK1, MTNR1A, MTNR1B CNR2 54/4885MEN1 2477/4885KMT2A 4427/4885
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT CNR2 103/4885MEN1 1023/4885KMT2A 2643/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 CNR2 871/4885MEN1 4699/4885KMT2A 4342/4885
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TYR, HRH2 CNR2 51/4885MEN1 546/4885KMT2A 1771/4885
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT CNR2 103/4885MEN1 1023/4885KMT2A 2643/4885
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT CNR2 103/4885MEN1 1023/4885KMT2A 2643/4885
US-10208049-B2 Compounds and methods of treating ocular disorders ALDH1A2, NR2E3, LRAT CNR2 103/4885MEN1 1023/4885KMT2A 2643/4885
US-10898516-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 CNR2 199/4885MEN1 4875/4885KMT2A 4662/4885

“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.