SCHEMBL2474944

SCHEMBL2474944

COCCOc1cc([N+](=O)[O-])c2ncccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
PDE10A Q9Y233 1/20 0.51
ALDH1A1 P00352 7/20 0.50
MAPT P10636 6/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 6/20 0.47
LMNA P02545 5/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
RELA Q04206 2/20 0.45
NFKBIA P25963 1/20 0.45
SLC40A1 Q9NP59 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
CTSB P07858 2/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43

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
SCHEMBL18257216 0.86 HSP90AA1 (0.57) HSP90AA1HSP90AB1PDE10AALDH1A1MAPT
SCHEMBL18249540 0.86 HSP90AA1 (0.57) HSP90AA1HSP90AB1PDE10AALDH1A1MAPT
SCHEMBL6638804 0.85 HSP90AA1 (0.59) HSP90AA1HSP90AB1PDE10AALDH1A1MAPT
SCHEMBL1378967 0.85 HSP90AA1 (0.62) HSP90AA1HSP90AB1PDE10AALDH1A1MAPT
SCHEMBL18257186 0.85 HSP90AA1 (0.53) HSP90AA1HSP90AB1PDE10AALDH1A1MAPT
SCHEMBL5322748 0.80 HSP90AA1 (0.59) HSP90AA1HSP90AB1PDE10AALDH1A1MAPT
SCHEMBL5456339 0.77 KDM4E (0.53) HSP90AA1HSP90AB1PDE10AALDH1A1MAPT
SCHEMBL18249541 0.77 HSP90AA1 (0.47) HSP90AA1HSP90AB1PDE10AALDH1A1MAPT
SCHEMBL2473645 0.77 KDM4E (0.45) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL11973817 0.76 HSP90AA1 (0.58) HSP90AA1HSP90AB1PDE10AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373650-B1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA SA (ES) 2012-10-24 EP disclosed
US-20110306631-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA, S.A. (ES) 2011-12-15 US disclosed
US-20110306631-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA, S.A. (ES) 2011-12-15 US disclosed
US-20110306631-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA, S.A. (ES) 2011-12-15 US disclosed
EP-2373650-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER Noscira, S.A. (ES) 2011-10-12 EP disclosed
WO-2010066832-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA, S.A. (ES) 2010-06-17 WO disclosed
WO-2010066832-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA, S.A. (ES) 2010-06-17 WO disclosed
EP-2196466-A1 Triple substituted phenanthroline derivatives for the treatment of neurodegenerative or heamatological diseases or conditions NOSCIRA, S.A. (ES) 2010-06-16 EP disclosed
EP-2196466-A1 Triple substituted phenanthroline derivatives for the treatment of neurodegenerative or heamatological diseases or conditions NOSCIRA, S.A. (ES) 2010-06-16 EP 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-20110306631-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER HTT, PFN1, PSEN1 HSP90AA1 1430/4885HSP90AB1 1554/4885PDE10A 4274/4885

“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.