SCHEMBL3378334

SCHEMBL3378334

Cn1cnc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(=O)N3CCN(CC4CCCCC4)CC3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.43
PARP1 P09874 1/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.41
NAMPT P43490 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
GRM2 Q14416 1/20 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
SCHEMBL302272 0.91 KMT2A (0.51) KMT2AHPGDLMNAMEN1ALDH1A1
SCHEMBL303989 0.88 KMT2A (0.41) KMT2AHPGDLMNATSHRALDH1A1
SCHEMBL2211106 0.85 LMNA (0.48) KMT2AHPGDLMNAMEN1PARP1
SCHEMBL2212006 0.85 KMT2A (0.38) KMT2AHPGDLMNATSHRALDH1A1
SCHEMBL17075498 0.83 LMNA (0.45) KMT2AHPGDLMNAMEN1PARP1
SCHEMBL3376397 0.82 KMT2A (0.50) KMT2AHPGDLMNAMEN1PARP1
SCHEMBL18487091 0.82 LMNA (0.45) KMT2AHPGDLMNAMEN1TSHR
SCHEMBL2212915 0.80 MEN1 (0.58) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL3378147 0.80 KMT2A (0.43) KMT2AHPGDLMNAMEN1ALDH1A1
SCHEMBL303692 0.78 LMNA (0.66) KMT2AHPGDLMNAMEN1ALDH1A1

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 11 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-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US claimed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US claimed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US claimed
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP disclosed
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 KMT2A 386/4885HPGD 3708/4885LMNA 1619/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 KMT2A 1511/4885HPGD 3196/4885LMNA 2145/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 KMT2A 386/4885HPGD 3708/4885LMNA 1619/4885

“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.