SCHEMBL2176961

SCHEMBL2176961

CN(C)c1nc(C=Cc2nc(C(=O)O)cc(N3CCCC3)n2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
ALOX12 P18054 1/20 0.47
PDE10A Q9Y233 7/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 3/20 0.44
HTT P42858 1/20 0.44
ACHE P22303 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL2176953 1.00 ALDH1A1 (0.47) ALDH1A1HPGDPOLBALOX12PDE10A
SCHEMBL2178021 0.90 PDE10A (0.46) ALDH1A1HPGDPOLBALOX12PDE10A
SCHEMBL2178013 0.90 PDE10A (0.46) ALDH1A1HPGDPOLBALOX12PDE10A
SCHEMBL2178481 0.88 ALDH1A1 (0.45) ALDH1A1HPGDPOLBALOX12PDE10A
SCHEMBL2178476 0.88 ALDH1A1 (0.45) ALDH1A1HPGDPOLBALOX12PDE10A
SCHEMBL2181159 0.87 PDE10A (0.47) ALDH1A1HPGDPOLBALOX12PDE10A
SCHEMBL2181157 0.87 PDE10A (0.47) ALDH1A1HPGDPOLBALOX12PDE10A
SCHEMBL2178924 0.86 KDM4E (0.47) ALDH1A1HPGDPOLBALOX12PDE10A
SCHEMBL2178921 0.86 KDM4E (0.47) ALDH1A1HPGDPOLBALOX12PDE10A
SCHEMBL2178512 0.84 KDM4E (0.48) ALDH1A1HPGDPOLBALOX12PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 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 (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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B ALDH1A1 1520/4885HPGD 679/4885POLB 2158/4885

“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.