SCHEMBL3379828

SCHEMBL3379828

NC(=O)c1ccc(Cc2ccccc2)c(C(=O)N2CCC(c3ccccc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 3/20 0.53
PARP10 Q53GL7 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
MBTD1 Q05BQ5 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TPSAB1 Q15661 3/20 0.47
SCD O00767 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
HSD11B1 P28845 1/20 0.44
MGLL Q99685 2/20 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
SCHEMBL3379273 0.83 ALDH1A1 (0.54) L3MBTL1MBTD1L3MBTL3ALDH1A1
SCHEMBL3380993 0.82 MBTD1 (0.40) PARP14PARP10L3MBTL1MBTD1L3MBTL3
SCHEMBL3377190 0.80 NAMPT (0.47) L3MBTL1MBTD1L3MBTL3ALDH1A1POLB
SCHEMBL3377139 0.78 SMN1; SMN2 (0.56) PARP14PARP10L3MBTL1ALDH1A1
SCHEMBL3377903 0.74 KMT2A (0.42) CA12CA1CA2CA9MGLL
SCHEMBL10720211 0.73 CA12 (0.76) PARP14PARP10L3MBTL1L3MBTL3CA12
SCHEMBL10723485 0.73 ALDH1A1 (0.62) L3MBTL1L3MBTL3CA12CA1CA2
SCHEMBL3378130 0.73 KMT2A (0.42) ALDH1A1HSD11B1
SCHEMBL3900559 0.71 AVPR1A (0.61) PARP14PARP10L3MBTL1CA12CA1
SCHEMBL4206605 0.70 CA12 (0.71) PARP14PARP10L3MBTL1L3MBTL3CA12

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 PARP14 1195/4885PARP10 1052/4885L3MBTL1 1040/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 PARP14 3364/4885PARP10 3415/4885L3MBTL1 3199/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 PARP14 1195/4885PARP10 1052/4885L3MBTL1 1040/4885

“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.