SCHEMBL5003489

SCHEMBL5003489

O=C(O)NCCc1cc(-c2cccnc2F)n(S(=O)(=O)c2cccc(F)c2F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.34
KMT2A Q03164 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
IDE P14735 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CHRM4 P08173 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GRM4 Q14833 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL5002599 0.88 L3MBTL1 (0.41) NAMPTKMT2ANPC1RAB9AMEN1
SCHEMBL5002783 0.87 IDE (0.36) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL5005945 0.86 IDE (0.39) NAMPTKMT2AMEN1KDM4EMAPT
SCHEMBL5002839 0.85 PTGDR2 (0.44) NAMPTSMN1; SMN2RXFP1ALDH1A1GRM4
SCHEMBL4999160 0.85 KMT2A (0.38) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL5008572 0.84 GRM4 (0.42) NAMPTNPC1SMN1; SMN2RXFP1ALDH1A1
SCHEMBL3914398 0.83 ALDH1A1 (0.44) NAMPTKMT2ANPC1RAB9AMEN1
SCHEMBL2410406 0.83 L3MBTL1 (0.36) NAMPTKMT2ANPC1RAB9AMEN1
SCHEMBL3903802 0.83 ALDH1A1 (0.35) NAMPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL5003485 0.82 USP19 (0.36) KMT2AMEN1KDM4EMAPTALDH1A1

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 3 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
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

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 NAMPT 2724/4885KMT2A 1066/4885NPC1 219/4885

“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.