SCHEMBL3379826

SCHEMBL3379826

O=C(NCc1ccccc1)c1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.56
MAOA P21397 2/20 0.56
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
DRD2 P14416 1/20 0.55
PARP14 Q460N5 1/20 0.52
PARP10 Q53GL7 1/20 0.52
HTR1A P08908 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
USP5 P45974 1/20 0.51
PARP1 P09874 1/20 0.51
DRD4 P21917 1/20 0.50
NAMPT P43490 1/20 0.50
MEN1 O00255 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
SCHEMBL10720101 0.85 PARP14 (0.65) PARP14PARP10NAMPTLMNATSHR
SCHEMBL3379832 0.84 PARP1 (0.53) PARP14PARP10PARP1DRD4NAMPT
SCHEMBL3379271 0.82 MAPK1 (0.65) HDAC2HDAC8HDAC6MEN1LMNA
SCHEMBL3380989 0.81 KDM1A (0.51) KDM1AMAOAHDAC2HDAC8HDAC6
SCHEMBL26315228 0.81 L3MBTL3 (0.64) PARP14PARP10NAMPTLMNATSHR
SCHEMBL15676711 0.81 SIGMAR1 (0.59) PARP14PARP10PARP1MEN1LMNA
SCHEMBL4785020 0.80 PARP14 (0.60) PARP14PARP10NAMPTLMNATSHR
SCHEMBL3377188 0.79 LMNA (0.54) HDAC2HDAC8HDAC6PARP1NAMPT
SCHEMBL14879836 0.79 MGLL (0.51) PARP14PARP10PARP1MEN1KMT2A
SCHEMBL1668837 0.79 MGLL (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP claimed
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 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 (3 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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 KDM1A 276/4885MAOA 2414/4885HDAC2 776/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 KDM1A 2555/4885MAOA 2042/4885HDAC2 620/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 KDM1A 276/4885MAOA 2414/4885HDAC2 776/4885

“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.