SCHEMBL3379273

SCHEMBL3379273

NC(=O)c1ccc(Cc2ccccc2)c(C(=O)N2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TSHR P16473 2/20 0.54
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
TYK2 P29597 1/20 0.53
JAK3 P52333 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.48
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL3380993 0.83 MBTD1 (0.40) ALDH1A1TSHRJAK2JAK1TYK2
SCHEMBL3379828 0.83 PARP14 (0.53) ALDH1A1MBTD1L3MBTL3L3MBTL1
SCHEMBL3278487 0.81 NPC1 (0.49) ALDH1A1TSHRJAK2JAK1TYK2
SCHEMBL3377139 0.80 SMN1; SMN2 (0.56) ALDH1A1TSHRSMN1; SMN2KDM4EMEN1
SCHEMBL7885342 0.79 ALDH1A1 (0.57) ALDH1A1TSHRJAK2JAK1TYK2
SCHEMBL3377190 0.79 NAMPT (0.47) ALDH1A1SMN1; SMN2GAAKDM4EMEN1
SCHEMBL22982840 0.74 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2GAAKDM4E
SCHEMBL29862289 0.74 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2GAAKDM4E
SCHEMBL3093959 0.73 MAPT (0.55) ALDH1A1TSHRSMN1; SMN2GAAKDM4E
SCHEMBL3227656 0.72 MEN1 (0.63) ALDH1A1TSHRKDM4EMEN1RAB9A

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 ALDH1A1 1360/4885TSHR 809/4885JAK2 1913/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 ALDH1A1 3795/4885TSHR 174/4885JAK2 2535/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 ALDH1A1 1360/4885TSHR 809/4885JAK2 1913/4885

“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.