SCHEMBL3377190

SCHEMBL3377190

NC(=O)c1ccc(Cc2ccccc2)c(C(=O)N2CCN(CC3CCCCC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
MBTD1 Q05BQ5 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CNR1 P21554 4/20 0.43
NPC1 O15118 1/20 0.43
OPRM1 P35372 1/20 0.41
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
OPRK1 P41145 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL3379828 0.80 PARP14 (0.53) MBTD1L3MBTL3L3MBTL1ALDH1A1POLB
SCHEMBL3379273 0.79 ALDH1A1 (0.54) MBTD1L3MBTL3L3MBTL1NPC1ALDH1A1
SCHEMBL3377139 0.76 SMN1; SMN2 (0.56) L3MBTL1PARP1ALDH1A1KDM4EMEN1
SCHEMBL6691898 0.74 CCR2 (0.46) PARP1OPRK1LMNA
SCHEMBL3380993 0.72 MBTD1 (0.40) NAMPTMBTD1L3MBTL3L3MBTL1NPC1
SCHEMBL3276253 0.72 NAMPT (0.64) NAMPTL3MBTL3L3MBTL1ALDH1A1GAA
SCHEMBL3276251 0.72 NAMPT (0.59) NAMPTCNR1NPC1ALDH1A1GAA
SCHEMBL20036180 0.71 NAMPT (0.60) NAMPTMBTD1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL3377193 0.69 NAMPT (0.53) NAMPTL3MBTL3L3MBTL1PARP1ALDH1A1
SCHEMBL3377188 0.69 LMNA (0.54) NAMPTL3MBTL1CNR1NPC1PARP1

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 NAMPT 2799/4885MBTD1 3581/4885L3MBTL3 1732/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 NAMPT 2896/4885MBTD1 4414/4885L3MBTL3 2893/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 NAMPT 2799/4885MBTD1 3581/4885L3MBTL3 1732/4885

“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.