SCHEMBL13999969

SCHEMBL13999969

Cn1c(-c2ccccc2-c2ccccc2)nc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PRSS1 P07477 1/20 0.42
AKT1 P31749 1/20 0.41
PTGER4 P35408 1/20 0.40
HSD11B1 P28845 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
MET P08581 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 4/20 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
SCHEMBL338433 0.91 PDE10A (0.54) PDE10AHDAC1HDAC8HDAC6PTGER4
SCHEMBL13999971 0.90 HDAC1 (0.53) PDE10AHDAC1HDAC8HDAC6PTGER4
SCHEMBL25668090 0.88 PDE10A (0.51) PDE10AHDAC1HDAC8HDAC6PTGER4
SCHEMBL14363378 0.86 PDE10A (0.47) PDE10AHDAC1HDAC8HDAC6PTGER4
SCHEMBL13042939 0.86 PDE10A (0.50) PDE10AHDAC1HDAC8HDAC6PTGER4
SCHEMBL19486125 0.86 PDE10A (0.52) PDE10AHDAC1HDAC8HDAC6PTGER4
SCHEMBL25688945 0.85 ALDH1A1 (0.42) PDE10AHDAC1HDAC8HDAC6PTGER4
SCHEMBL10353573 0.85 PDE10A (0.49) PDE10AHDAC1HDAC8HDAC6PTGER4
SCHEMBL14000017 0.85 PDE10A (0.47) PDE10AHDAC1HDAC8HDAC6PTGER4
SCHEMBL10354063 0.84 PDE10A (0.48) PDE10AHDAC1HDAC8HDAC6PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2000464-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Idemitsu Kosan Co., Ltd. (JP) 2008-12-10 EP disclosed
US-20070267970-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-11-22 US disclosed
US-20070267970-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-11-22 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-20070267970-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME NUDC, NUDT1, SLC43A1 PDE10A 1932/4885HDAC1 3404/4885HDAC8 4393/4885

“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.