SCHEMBL3379802

SCHEMBL3379802

NC(=O)c1ccccc1-c1nncs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.49
CSNK1A1 P48729 1/20 0.43
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MAPT P10636 1/20 0.40
HTR2B P41595 1/20 0.40
NUDT1 P36639 1/20 0.38
METAP2 P50579 1/20 0.38
EIF4E P06730 1/20 0.38
GRM5 P41594 1/20 0.37
DPP4 P27487 1/20 0.36

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
SCHEMBL31226904 1.00 BCAT2 (0.49) BCAT2CSNK1A1TYRO3DYRK1BNPC1
SCHEMBL11614461 0.85 RAB9A (0.49) NPC1RAB9ATSHRKDM4EALDH1A1
SCHEMBL11564434 0.83 TSHR (0.40) NPC1RAB9ATSHRKDM4EALDH1A1
SCHEMBL31619658 0.76 PARP1 (0.44) CSNK1A1TYRO3DYRK1BNPC1RAB9A
SCHEMBL995828 0.73 CSNK1A1 (0.50) BCAT2CSNK1A1TYRO3DYRK1BNPC1
SCHEMBL3180259 0.73 HTR2B (0.50) BCAT2CSNK1A1TYRO3DYRK1BNPC1
SCHEMBL30517722 0.73 CSNK1A1 (0.50) BCAT2CSNK1A1TYRO3DYRK1BNPC1
SCHEMBL210767 0.73 BCAT2 (0.74) BCAT2CSNK1A1TYRO3DYRK1BNPC1
SCHEMBL30514077 0.73 BCAT2 (0.74) BCAT2CSNK1A1TYRO3DYRK1BNPC1
SCHEMBL1207012 0.73 ALDH1A1 (0.52) NPC1RAB9AKDM4EALDH1A1HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BCAT2 3090/4885CSNK1A1 1343/4885TYRO3 2812/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 BCAT2 2124/4885CSNK1A1 1327/4885TYRO3 592/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 BCAT2 3090/4885CSNK1A1 1343/4885TYRO3 2812/4885

“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.