SCHEMBL3381004

SCHEMBL3381004

CCC(CO)c1ccccc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL474162 0.91 KDM4E (0.45) BCAT2KDM4EALDH1A1TSHRMAPT
SCHEMBL13723957 0.89 BCAT2 (0.47) BCAT2KDM4EALDH1A1TSHRMAPT
SCHEMBL30547915 0.82 CYP3A4 (0.47) KDM4EALDH1A1TSHRMAPTHPGD
SCHEMBL3693342 0.81 CYP3A4 (0.49) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL15389209 0.81 P2RX7 (0.39) KDM4EALDH1A1TSHRMAPTHPGD
SCHEMBL5685798 0.80 EPHX1 (0.44) BCAT2KDM4EALDH1A1TSHRMAPT
SCHEMBL27199692 0.80 CYP3A4 (0.51) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL30479012 0.80 CYP3A4 (0.51) KDM4EALDH1A1TSHRMAPTHSD17B10
SCHEMBL8526511 0.79 TSHR (0.55) BCAT2KDM4EALDH1A1TSHRMAPT
SCHEMBL11503111 0.79 KDM4E (0.44) BCAT2KDM4EALDH1A1TSHRMAPT

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 3090/4885KDM4E 371/4885ALDH1A1 1360/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 BCAT2 2124/4885KDM4E 1379/4885ALDH1A1 3795/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 BCAT2 3090/4885KDM4E 371/4885ALDH1A1 1360/4885

“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.