SCHEMBL13999971

SCHEMBL13999971

Cn1c(-c2ccc(-c3ccccc3)cc2)nc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
PDE10A Q9Y233 2/20 0.53
ATM Q13315 1/20 0.48
ALDH1A1 P00352 4/20 0.46
PKM P14618 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
TLR7 Q9NYK1 1/20 0.45
PTGER4 P35408 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 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
SCHEMBL338433 0.99 PDE10A (0.54) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL25668090 0.97 PDE10A (0.51) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL10353573 0.95 PDE10A (0.49) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL13042939 0.94 PDE10A (0.50) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL14363378 0.94 PDE10A (0.47) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL19486125 0.94 PDE10A (0.52) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL10354063 0.92 PDE10A (0.48) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL24813310 0.91 PDE10A (0.52) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL13098078 0.91 HDAC1 (0.56) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL14000017 0.90 PDE10A (0.47) HDAC1HDAC8HDAC6PDE10AATM

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 HDAC1 3404/4885HDAC8 4393/4885HDAC6 4757/4885

“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.