SCHEMBL2997672

SCHEMBL2997672

COc1ccc(C=CC(=O)Oc2ccc(CO[N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ATM Q13315 1/20 0.53
GSK3B P49841 1/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA9 Q16790 2/20 0.52
NFE2L2 Q16236 1/20 0.51
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.50
TTR P02766 1/20 0.49
FDPS P14324 1/20 0.49
TNFRSF1A P19438 1/20 0.49
ALOX15 P16050 1/20 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
SCHEMBL2997666 1.00 KDM4E (0.58) KDM4ESMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL13242546 0.91 CA12 (0.58) KDM4ESMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL13704175 0.91 BACE1 (0.53) KDM4ESMN1; SMN2KMT2AALDH1A1CA12
SCHEMBL4326745 0.91 KDM4E (0.60) KDM4ESMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL2998925 0.88 KDM4E (0.55) KDM4ESMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL2998919 0.88 KDM4E (0.55) KDM4ESMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL4328629 0.87 MAPT (0.56) KMT2ANPC1RAB9AATMGSK3B
SCHEMBL4335303 0.87 MAPT (0.56) KMT2ANPC1RAB9AATMGSK3B
SCHEMBL13704191 0.83 KDM4E (0.68) KDM4ESMN1; SMN2KMT2AALDH1A1NFE2L2
SCHEMBL2995205 0.83 TTR (0.54) KDM4ESMN1; SMN2KMT2AALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2010-07-15 US claimed
EP-2167070-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN Nicox S.A. (FR) 2010-03-31 EP claimed
WO-2009007230-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2009-01-15 WO claimed
EP-1709155-B1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTPR LTD (KY) 2013-10-02 EP disclosed
US-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2010-07-15 US disclosed
EP-2167070-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN Nicox S.A. (FR) 2010-03-31 EP disclosed
US-7585997-B2 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTERPRISES LIMITED (KY) 2009-09-08 US disclosed
WO-2009007230-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2009-01-15 WO disclosed
EP-1709155-A4 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF KASHFI KHOSROW (US) 2007-10-31 EP disclosed
EP-1709155-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF Kashfi, Khosrow (US) 2006-10-11 EP disclosed
US-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CONVERSANT INTELLECTUAL PROPERTY MANAGEMENT INC. (CA) 2005-08-18 US disclosed
WO-2005065361-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF KASHFI KHOSROW (US) 2005-07-21 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 (2 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-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NOS1, NOS2, NOS3 KDM4E 3010/4885SMN1; SMN2 489/4885KMT2A 4349/4885
US-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof PYGL, TP53, MKI67 KDM4E 4082/4885SMN1; SMN2 2772/4885KMT2A 4350/4885

“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.