SCHEMBL1507837

SCHEMBL1507837

c1cnc2c(NCCCNc3cccc4cccnc34)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
MAPT P10636 5/20 0.56
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
BLM P54132 2/20 0.56
KDM4E B2RXH2 2/20 0.56
NSD2 O96028 1/20 0.56
HTT P42858 4/20 0.56
ALOX15 P16050 2/20 0.56
GLO1 Q04760 1/20 0.56
HSP90AA1 P07900 5/20 0.54
HSP90AB1 P08238 4/20 0.54
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
TDP1 Q9NUW8 3/20 0.51
APAF1 O14727 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50

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
SCHEMBL522650 0.92 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL11149010 0.90 HTT (0.54) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL27751330 0.89 HTT (0.53) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL11584047 0.87 HSP90AA1 (0.52) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL6038007 0.87 HSP90AA1 (0.52) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL9850412 0.86 HSP90AA1 (0.55) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL14842870 0.86 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL9180960 0.86 HTT (0.57) MEN1KMT2AMAPTALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL9850493 0.84 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL18668665 0.83 HDAC6 (0.55) MEN1KMT2AMAPTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227626-A1 NOVEL POLYQUINOLINE DERIVATIVES AND THERAPEUTIC USE THEREOF PALUMED S.A. (FR) 2009-09-10 US claimed
EP-1919894-B1 NOVEL POLYQUINOLINE DERIVATIVES AND THE THERAPEUTIC USE THEREOF PALUMED SA (FR) 2014-10-08 EP disclosed
US-8324196-B2 Polyquinoline derivatives and the therapeutic use thereof PALUMED S.A. (FR) 2012-12-04 US disclosed
US-20120277265-A1 NOVEL POLYQUINOLINE DERIVATIVES AND THE THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2012-11-01 US disclosed
US-8247396-B2 Polyquinoline derivatives and therapeutic use thereof PALUMED S.A. (FR) 2012-08-21 US disclosed
EP-2289891-A2 Novel polyquinoline derivates and the therapeutic use thereof Palumed S.A. (FR) 2011-03-02 EP disclosed
EP-2289891-A2 Novel polyquinoline derivates and the therapeutic use thereof Palumed S.A. (FR) 2011-03-02 EP disclosed
US-20090227626-A1 NOVEL POLYQUINOLINE DERIVATIVES AND THERAPEUTIC USE THEREOF PALUMED S.A. (FR) 2009-09-10 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-20120277265-A1 NOVEL POLYQUINOLINE DERIVATIVES AND THE THERAPEUTIC USE THEREOF HTT, APP, PSEN1 MEN1 1196/4885KMT2A 2836/4885MAPT 14/4885
US-20090227626-A1 NOVEL POLYQUINOLINE DERIVATIVES AND THERAPEUTIC USE THEREOF HTT, UBQLN2, UBQLN1 MEN1 1574/4885KMT2A 2671/4885MAPT 235/4885

“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.