SCHEMBL2188996

SCHEMBL2188996

O=C(O)c1cccc(NCc2ccc(Cl)cc2)c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.79
FFAR1 O14842 2/20 0.61
POLB P06746 2/20 0.59
MRGPRX4 Q96LA9 2/20 0.57
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
AKR1C3 P42330 1/20 0.55

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
SCHEMBL10055040 0.92 FFAR1 (0.68) PPARAFFAR1MRGPRX4AKR1C3
SCHEMBL15458722 0.89 HIF1A (0.67) PPARAFFAR1MRGPRX4NPC1RAB9A
SCHEMBL21370437 0.89 PPARA (1.00) PPARAFFAR1POLBMRGPRX4MEN1
SCHEMBL2185809 0.87 FFAR1 (0.70) PPARAFFAR1MRGPRX4NPC1RAB9A
SCHEMBL13802457 0.87 MRGPRX4 (0.63) PPARAFFAR1MRGPRX4NPC1RAB9A
SCHEMBL6840198 0.85 PPARA (0.60) PPARAFFAR1POLBMRGPRX4ALDH1A1
SCHEMBL12581587 0.84 MRGPRX4 (0.73) PPARAFFAR1MRGPRX4NPC1RAB9A
SCHEMBL14758954 0.84 FFAR1 (0.70) PPARAFFAR1MRGPRX4NPC1RAB9A
SCHEMBL14950693 0.84 PPARA (0.62) PPARAFFAR1
SCHEMBL8742132 0.83 PPARA (0.57) PPARAFFAR1ALDH1A1MEN1KMT2A

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 9 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 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
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US disclosed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO 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 PPARA 4205/4885FFAR1 1688/4885POLB 4531/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 PPARA 1367/4885FFAR1 209/4885POLB 4553/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 PPARA 4205/4885FFAR1 1688/4885POLB 4531/4885

“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.