SCHEMBL1507910

SCHEMBL1507910

Nc1cccc2ccc(CNCc3ccc4cccc(N)c4n3)nc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.42
HTR3A P46098 1/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
PARP1 P09874 1/20 0.38
CCR1 P32246 2/20 0.36
BACE1 P56817 1/20 0.35
PLAU P00749 1/20 0.35
NCF1 P14598 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
KEAP1 Q14145 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL27835947 0.81 PDE10A (0.44) PDE10AHTR3APARP1CCR1BACE1
SCHEMBL26053800 0.79 PARP1 (0.58) PDE10AHTR3APARP1CCR1NCF1
SCHEMBL8588461 0.79 CCR1 (0.63) PDE10AHTR3APARP1CCR1BACE1
SCHEMBL1507709 0.78 PDE10A (0.42) PDE10AHTR3AHDAC1HDAC2PARP1
SCHEMBL18249548 0.75 PDE10A (0.43) PDE10AHTR3APARP1CCR1ELANE
SCHEMBL6277332 0.75 PDE10A (0.40) PDE10AHTR3APARP1CCR1BACE1
SCHEMBL30471553 0.75 PDE10A (0.43) PDE10AHTR3APARP1CCR1ELANE
SCHEMBL30461061 0.74 PARP1 (0.49) PDE10AHTR3APARP1CCR1PLAU
SCHEMBL28508426 0.74 KCNH2 (0.49) PDE10AHTR3APARP1CCR1
SCHEMBL28421865 0.73 PDE10A (0.51) PDE10APLAUNCF1ALDH1A1

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
US-8324196-B2 Polyquinoline derivatives and the therapeutic use thereof PALUMED S.A. (FR) 2012-12-04 US claimed
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 claimed
US-8247396-B2 Polyquinoline derivatives and therapeutic use thereof PALUMED S.A. (FR) 2012-08-21 US claimed
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 PDE10A 2625/4885HTR3A 2358/4885HDAC1 1808/4885
US-20090227626-A1 NOVEL POLYQUINOLINE DERIVATIVES AND THERAPEUTIC USE THEREOF HTT, UBQLN2, UBQLN1 PDE10A 1162/4885HTR3A 1512/4885HDAC1 1127/4885

“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.