SCHEMBL3377899

SCHEMBL3377899

O=C(NCc1ccc(Cl)cc1)c1cccc(C(=O)N2CC[C@@H](F)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
IDO1 P14902 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
KCNH2 Q12809 1/20 0.47
LMNA P02545 1/20 0.47
CCR2 P41597 2/20 0.46
HPGD P15428 1/20 0.46
DPP4 P27487 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
MGLL Q99685 1/20 0.46

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
SCHEMBL3378966 0.85 DPP7 (0.52) MEN1KMT2AIDO1KCNH2LMNA
SCHEMBL3377905 0.85 PPARA (0.49) MEN1KMT2AHPGDDPP4DPP7
SCHEMBL3379917 0.84 GRM5 (0.57) MEN1KMT2ALMNAHPGDDPP7
SCHEMBL3378126 0.84 IDO1 (0.49) MEN1KMT2AIDO1CA1CA2
SCHEMBL5333738 0.79 TSHR (0.66) MEN1KMT2ACA1CA2LMNA
SCHEMBL3236002 0.76 GRM5 (0.58) MEN1KMT2ACA1CA2CA12
SCHEMBL3379826 0.74 KDM1A (0.56) MEN1KMT2ALMNA
SCHEMBL20394959 0.74 ALDH1A1 (0.51) MEN1KMT2ACA1CA2CA12
SCHEMBL1330119 0.73 ALDH1A1 (0.67) MEN1KMT2ACA1CA2LMNA
SCHEMBL3237604 0.72 GRM5 (0.68) MEN1KMT2ACA1CA2CA12

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 MEN1 608/4885KMT2A 386/4885IDO1 2854/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 MEN1 2747/4885KMT2A 1511/4885IDO1 3399/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 MEN1 608/4885KMT2A 386/4885IDO1 2854/4885

“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.