SCHEMBL2413249

SCHEMBL2413249

COc1ccc(CN(C)Cc2c[nH]c(-c3cccnc3Cl)c2F)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
ALDH1A1 P00352 6/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 7/20 0.39
CYP3A4 P08684 7/20 0.39
CYP2D6 P10635 7/20 0.39
TSHR P16473 5/20 0.39
CYP2C19 P33261 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
CLK4 Q9HAZ1 2/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL2409959 0.91 GAA (0.45) GAAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4417723 0.85 GAA (0.41) GAAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2410197 0.75 HTR6 (0.44) ALDH1A1LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL4998745 0.73 LMNA (0.35) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL2409140 0.71 POLB (0.36) TDP1POLBHTR2ASLC6A4
SCHEMBL2412129 0.68 HTR6 (0.46) ALDH1A1LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL2416412 0.67 DHODH (0.32) LMNASMN1; SMN2TDP1KMT2APOLB
SCHEMBL2412036 0.66 GAA (0.39) GAAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL30080224 0.65 CYP1A2 (0.56) ALDH1A1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL12522848 0.65 APLNR (0.54) ALDH1A1LMNAHTTSMN1; SMN2L3MBTL1

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
EP-2114917-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2016-08-10 EP disclosed
US-8933105-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 EP disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 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 (1 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-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker REN, HRH2, ATP4A GAA 549/4885ALDH1A1 1650/4885LMNA 3758/4885

“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.