SCHEMBL10225876

SCHEMBL10225876

O=C(CNc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
KDM4E B2RXH2 1/20 0.58
AGTR1 P30556 1/20 0.58
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 3/20 0.52
MAPT P10636 6/20 0.52
L3MBTL1 Q9Y468 5/20 0.52
NPC1 O15118 4/20 0.52
KAT2B Q92831 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 3/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
CASP7 P55210 1/20 0.50
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
Hydrochloric Acid SCHEMBL6032002 0.85 MEN1 (0.60) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL124292 0.85 MEN1 (0.60) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL401028 0.84 HCAR3 (0.67) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9400705 0.83 MAPT (0.50) RAB9AKDM4EKMT2AMEN1ALDH1A1
SCHEMBL1086052 0.81 KMT2A (0.58) RAB9AKDM4EKMT2AMEN1ALDH1A1
SCHEMBL28793942 0.79 PHGDH (0.64) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL4837897 0.78 KMT2A (0.55) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL9983928 0.78 KMT2A (0.59) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL5026709 0.76 KAT2B (0.60) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL12894737 0.76 CTSD (0.60) KDM4EKMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8653268-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-02-18 US disclosed
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2013-07-25 US disclosed
US-8367826-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2013-02-05 US disclosed
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-08-02 US disclosed
US-20120077979-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-03-29 US 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-20120077979-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 RAB9A 2985/4885KDM4E 2218/4885AGTR1 385/4885
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 RAB9A 2985/4885KDM4E 2218/4885AGTR1 385/4885
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 RAB9A 2985/4885KDM4E 2218/4885AGTR1 385/4885

“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.