SCHEMBL3377903

SCHEMBL3377903

NC(=O)c1ccc(Cc2ccc(Cl)cc2)c(C(=O)N2CC[C@@H](F)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP4 P27487 1/20 0.41
MGLL Q99685 9/20 0.40
HSP90AA1 P07900 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HPGD P15428 1/20 0.39
PREP P48147 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL3378845 0.85 GLA (0.47) KMT2AGLAHSD17B10DPP7HSP90AA1
SCHEMBL3378806 0.85 GRM5 (0.53) KMT2AGLAHSD17B10DPP7HPGD
SCHEMBL3378130 0.84 KMT2A (0.42) KMT2AGLAHSD17B10DPP7HSP90AA1
SCHEMBL3379828 0.74 PARP14 (0.53) MGLLCA12CA1CA2CA9
SCHEMBL28128208 0.71 SLC6A2 (0.52) KMT2ADPP4SLC6A2SLC6A4SLC6A3
SCHEMBL3380993 0.70 MBTD1 (0.40) KMT2A
SCHEMBL3379273 0.70 ALDH1A1 (0.54) KMT2AHSD17B10HPGD
SCHEMBL3230420 0.70 MEN1 (0.61) KMT2AHSD17B10HSP90AA1SLC6A2SLC6A4
SCHEMBL28807041 0.69 SLC6A2 (0.59) KMT2ADPP4SLC6A2SLC6A4SLC6A3
SCHEMBL3377190 0.68 NAMPT (0.47) KMT2A

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 12 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
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO 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 386/4885GLA 4155/4885HSD17B10 3238/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 KMT2A 1511/4885GLA 4520/4885HSD17B10 1022/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 KMT2A 386/4885GLA 4155/4885HSD17B10 3238/4885

“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.