SCHEMBL6792379

SCHEMBL6792379

COC(=O)c1cc(NN)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.56
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPT P10636 5/20 0.44
HTT P42858 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
CTSD P07339 1/20 0.43
VCAM1 P19320 1/20 0.43
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL31665134 0.86 SIRT6 (0.54) SIRT6TDP1KMT2AMEN1KDM4E
SCHEMBL18792896 0.82 KMT2A (0.52) SIRT6TDP1KMT2AMEN1KDM4E
SCHEMBL267231 0.81 GAA (0.58) SIRT6TDP1KMT2AMEN1KDM4E
SCHEMBL265658 0.80 ALDH1A1 (0.49) SIRT6TDP1KMT2AMEN1KDM4E
SCHEMBL268199 0.80 CA12 (0.59) SIRT6TDP1KMT2AMEN1MAPT
SCHEMBL4753199 0.80 VCAM1 (0.60) SIRT6TDP1KMT2AKDM4EMAPT
SCHEMBL145815 0.80 SIRT6 (0.57) SIRT6TDP1KMT2AMEN1MAPT
SCHEMBL8878937 0.79 TDP1 (0.60) SIRT6TDP1KDM4EMAPTPDGFRB
SCHEMBL3513603 0.78 SIRT6 (0.56) SIRT6TDP1KMT2AMEN1KDM4E
SCHEMBL31548078 0.78 SIRT6 (0.56) SIRT6TDP1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727250-B2 ADMINISTERING COMPOUNDS SUCH AS TRANS-3-(NAPHTH-2-YL)-BUT-2-ENOIC ACID-N-(2-CARBOXY-PHENYL)-AMIDE OR LIKE FOR THERAPY OF CONDITIONS ASSOCIATED WITH INCREASED TELOMERASE ACTIVITY, E.G. TUMOUR DISEASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-04-27 US disclosed
EP-1261321-A2 CARBOXYLIC ACID AMIDES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THE USE AND PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-12-04 EP disclosed
US-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-07-25 US disclosed
US-6362210-B1 ANTITUMOR, ANTICANCER AGENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-26 US disclosed
WO-2001007020-A2 CARBOXYLIC ACID AMIDES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THE USE AND PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-02-01 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 (1 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-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation TERT, NAT1, POT1 SIRT6 719/4885TDP1 84/4885KMT2A 490/4885

“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.