SCHEMBL1179999

SCHEMBL1179999

O=C(NN1CCOCC1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 10/20 0.67
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.48
AKR1C3 P42330 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL27651649 0.87 LIPE (0.50) LIPEKMT2ARAB9APOLBAKR1C3
SCHEMBL12834636 0.86 LIPE (0.65) LIPEMEN1KMT2APOLBKDM4E
SCHEMBL7550336 0.80 LIPE (1.00) LIPEMEN1KMT2A
SCHEMBL4663484 0.80 LIPE (0.74) LIPEMEN1KMT2A
SCHEMBL10757188 0.80 LIPE (0.73) LIPEMEN1KMT2ARAB9AKDM4E
SCHEMBL1115881 0.79 CYP1A2 (0.64) MEN1KMT2ARAB9APOLBAKR1C3
SCHEMBL11831902 0.79 MEN1 (0.65) MEN1KMT2ARAB9AKDM4E
SCHEMBL5067764 0.79 LMNA (0.59) MEN1KMT2A
SCHEMBL2918462 0.79 MAPT (0.69) MEN1KMT2ARAB9AAKR1C3KDM4E
SCHEMBL31596882 0.78 LIPE (0.58) LIPEMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298292-A2 Kinase inhibitors for treating cancers Agennix USA Inc. (US) 2011-03-23 EP disclosed
EP-2298292-A2 Kinase inhibitors for treating cancers Agennix USA Inc. (US) 2011-03-23 EP disclosed
EP-2298291-A2 Kinase inhibitors for treating cancers Agennix USA Inc. (US) 2011-03-23 EP disclosed
EP-2298291-A2 Kinase inhibitors for treating cancers Agennix USA Inc. (US) 2011-03-23 EP disclosed
US-7893057-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2011-02-22 US disclosed
US-7893057-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2011-02-22 US disclosed
US-7893057-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2011-02-22 US disclosed
US-7786112-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2010-08-31 US disclosed
US-7786112-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2010-08-31 US disclosed
US-7786112-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2010-08-31 US disclosed
WO-2005051452-A2 POLYMER COMPOSITIONS AND METHODS FOR THEIR USE ANGIOTECH INTERNATIONAL AG (CH) 2005-06-09 WO disclosed
US-20050090471-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH, INC (US) 2005-04-28 US disclosed
US-20040266854-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH, INC. (US) 2004-12-30 US disclosed
US-20040266853-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH, INC. (US) 2004-12-30 US disclosed
WO-2004092139-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO GPC BIOTECH, INC. (US) 2004-10-28 WO disclosed
WO-2004089342-A2 ORAL PHARMACEUTICAL PREPARATION COMPRISING A PROTON PUMP ANTAGONIST AND A BASIC EXIPIENT ALTANA PHARMA AG (DE) 2004-10-21 WO disclosed
EP-1446405-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO GPC Biotech Inc. (US) 2004-08-18 EP disclosed
US-6753329-B2 1,5-DIHYDROPYRAZOLO(3,4-D)PYRIMIDIN-4-ONE DERIVATIVES USEFUL FOR TRATING CANCER, TUMOR AND HYPERPROLIFERATIVE DISORDERS IN ANIMALS GPC BIOTECH INC. 2004-06-22 US disclosed
US-20030162797-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH AG (DE) 2003-08-28 US disclosed
WO-2003033499-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO GPC BIOTECH INC. (US) 2003-04-24 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 (4 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-20040266853-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI LIPE 4213/4885MEN1 3326/4885KMT2A 937/4885
US-20030162797-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI LIPE 4213/4885MEN1 3326/4885KMT2A 937/4885
US-20050090471-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI LIPE 4213/4885MEN1 3326/4885KMT2A 937/4885
US-20040266854-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI LIPE 4213/4885MEN1 3326/4885KMT2A 937/4885

“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.