SCHEMBL3455965

SCHEMBL3455965

COc1cc2c(SC)cc(/C=N/O)nc2c2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.41
KDM4E B2RXH2 7/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPK1 P28482 4/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 3/20 0.35
NSD2 O96028 2/20 0.35
CASP6 P55212 2/20 0.35
G6PD P11413 1/20 0.35
NPC1 O15118 3/20 0.34
HTT P42858 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
MMP14 P50281 1/20 0.34
AGTR1 P30556 1/20 0.34
ATM Q13315 1/20 0.34
SLC40A1 Q9NP59 2/20 0.34

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
SCHEMBL3455967 1.00 HSP90AA1 (0.41) HSP90AA1KDM4EHPGDMEN1KMT2A
SCHEMBL13372635 1.00 HSP90AA1 (0.41) HSP90AA1KDM4EHPGDMEN1KMT2A
SCHEMBL2475868 0.86 CCR1 (0.36) HSP90AA1KDM4EHPGDMEN1KMT2A
SCHEMBL2475865 0.86 CCR1 (0.36) HSP90AA1KDM4EHPGDMEN1KMT2A
SCHEMBL12027704 0.85 CCR1 (0.46) HSP90AA1KDM4EMEN1KMT2AMAPT
SCHEMBL3454980 0.85 HSP90AA1 (0.44) HSP90AA1KDM4EHPGDMEN1KMT2A
SCHEMBL13372636 0.85 HSP90AA1 (0.44) HSP90AA1KDM4EHPGDMEN1KMT2A
SCHEMBL3454981 0.85 HSP90AA1 (0.44) HSP90AA1KDM4EHPGDMEN1KMT2A
SCHEMBL2476384 0.85 MEN1 (0.38) MEN1KMT2ARAB9ANSD2CASP6
SCHEMBL2808343 0.82 HSP90AA1 (0.45) HSP90AA1KDM4EHPGDMEN1KMT2A

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 11 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 claimed
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 claimed
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 claimed
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
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
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 1430/4885KDM4E 1171/4885HPGD 1683/4885

“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.