SCHEMBL2804980

SCHEMBL2804980

CN(C)C(=O)CSc1cc(C=NO)nc2c1ccc1cccnc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.58
ALDH1A1 P00352 11/20 0.58
HPGD P15428 7/20 0.58
HSD17B10 Q99714 5/20 0.58
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 6/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
HKDC1 Q2TB90 1/20 0.36

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
SCHEMBL2804977 1.00 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL13127508 1.00 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL3648306 0.93 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL3648305 0.93 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL13127510 0.87 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL13127509 0.86 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL2812638 0.86 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL2812640 0.86 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL2809964 0.83 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL2809962 0.83 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140011835-A1 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2014-01-09 US claimed
US-20140011835-A1 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2014-01-09 US disclosed
US-8592446-B2 [1,10]-phenanthroline derivatives for the treatment of neurodegenerative or haematological diseases NOSCIRA, S.A. (ES) 2013-11-26 US disclosed
US-20100240692-A1 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2010-09-23 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 (2 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-20140011835-A1 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES HTT, PARK7, ATXN10 KDM4E 1412/4885ALDH1A1 319/4885HPGD 483/4885
US-20100240692-A1 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES HTT, ATXN10, PSEN1 KDM4E 1922/4885ALDH1A1 1502/4885HPGD 1149/4885

“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.