SCHEMBL2804982

SCHEMBL2804982

Cc1cc(SC(C)C)c2ccc3cccnc3c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.48
CCR1 P32246 5/20 0.48
CCR8 P51685 5/20 0.48
CCR5 P51681 3/20 0.48
LMNA P02545 5/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MMP2 P08253 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL2808095 0.84 CCR1 (0.51) L3MBTL1CCR1CCR8CCR5LMNA
SCHEMBL2809550 0.82 CCR1 (0.40) L3MBTL1CCR1CCR8CCR5LMNA
SCHEMBL2805221 0.79 KDM4E (0.39) L3MBTL1CCR1CCR8CCR5LMNA
SCHEMBL2805223 0.79 KDM4E (0.39) L3MBTL1CCR1CCR8CCR5LMNA
SCHEMBL2806101 0.78 CCR1 (0.46) L3MBTL1CCR1CCR8CCR5LMNA
SCHEMBL9868484 0.77 CCR1 (0.67) L3MBTL1CCR1CCR8CCR5LMNA
SCHEMBL16474109 0.75 POLB (0.48) L3MBTL1CCR1CCR8CCR5LMNA
SCHEMBL2811314 0.75 MAPT (0.64) L3MBTL1CCR1CCR8CCR5LMNA
SCHEMBL2808229 0.75 CCR1 (0.54) L3MBTL1CCR1CCR8CCR5LMNA
SCHEMBL21511856 0.72 CCR1 (0.51) L3MBTL1CCR1CCR8CCR5LMNA

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 12 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 disclosed
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-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
US-20100240692-A1 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2010-09-23 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
EP-2170464-A2 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2010-04-07 EP disclosed
WO-2008152068-A2 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2008-12-18 WO disclosed
WO-2008152068-A2 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES NOSCIRA, S.A. (ES) 2008-12-18 WO disclosed
EP-2002863-A1 [1,10]-phenanthroline derivatives for the treatment of neurodegenerative or haematological diseases NOSCIRA, S.A. (ES) 2008-12-17 EP disclosed
EP-2002863-A1 [1,10]-phenanthroline derivatives for the treatment of neurodegenerative or haematological diseases NOSCIRA, S.A. (ES) 2008-12-17 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 (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 L3MBTL1 2710/4885CCR1 2179/4885CCR8 4099/4885
US-20100240692-A1 [1,10]-PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES HTT, ATXN10, PSEN1 L3MBTL1 3762/4885CCR1 2471/4885CCR8 3823/4885

“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.