SCHEMBL4998747

SCHEMBL4998747

O=C(O)NCCc1c[nH]c(-c2cccnc2Cl)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
MTNR1A P48039 1/20 0.44
LTA4H P09960 2/20 0.37
PLA2G2A P14555 2/20 0.37
SNCA P37840 3/20 0.37
GSK3B P49841 1/20 0.37
P2RX7 Q99572 1/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
NSD2 O96028 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL2194158 0.88 MTNR1A (0.45) PTGS2MTNR1ALTA4HPLA2G2AGSK3B
SCHEMBL4416060 0.84 MTNR1A (0.42) PTGS2MTNR1ALTA4HPLA2G2AGSK3B
SCHEMBL5006162 0.83 MTNR1A (0.41) PTGS2MTNR1ALTA4HPLA2G2AGSK3B
SCHEMBL4998745 0.78 LMNA (0.35) MTNR1AGSK3BITGB2ICAM1ITGAL
SCHEMBL2409138 0.76 ITGB2 (0.41) NSD2ITGB2ICAM1ITGALKMT2A
SCHEMBL2416412 0.73 DHODH (0.32) ITGB2ICAM1ITGALKMT2A
SCHEMBL2444065 0.73 IDO1 (0.55) MTNR1AGSK3BMEN1KMT2AIDO1
SCHEMBL5008481 0.72 IDE (0.39) PTGS2HIF1A
SCHEMBL3210049 0.71 HDAC1 (0.54) PTGS2MTNR1ALTA4HPLA2G2AMEN1
SCHEMBL2409140 0.70 POLB (0.36) IDO1

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 PTGS2 2210/4885MTNR1A 479/4885LTA4H 2960/4885

“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.