SCHEMBL5008201

SCHEMBL5008201

O=C(O)NCCc1c[nH]c(-c2cccnc2F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.37
PPARG P37231 1/20 0.36
HPGD P15428 1/20 0.36
NAPRT Q6XQN6 1/20 0.35
GSK3B P49841 4/20 0.35
DYRK1A Q13627 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
KDM4E B2RXH2 3/20 0.34
LTA4H P09960 1/20 0.34
PLA2G2A P14555 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
AKT1 P31749 1/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5C P41229 1/20 0.34

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
SCHEMBL4420590 0.83 MTNR1A (0.35) MTNR1APPARGHPGDGSK3BEGLN1
SCHEMBL2194158 0.77 MTNR1A (0.45) MTNR1ANAPRTGSK3BLTA4HPLA2G2A
SCHEMBL5008198 0.77 TACR1 (0.38) PPARGHPGDNAPRTRAB9AMEN1
SCHEMBL1157421 0.77 ALPL (0.39) MTNR1ARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL1156493 0.77 ALDH1A1 (0.39) MTNR1AHPGDRAB9ASMN1; SMN2MEN1
SCHEMBL2409764 0.76 DYRK1A (0.36) PPARGNAPRTGSK3BDYRK1ADHODH
SCHEMBL1156743 0.75 DAO (0.39) MTNR1AHPGDCNR1SMN1; SMN2MEN1
SCHEMBL2409771 0.73 TP53 (0.33) PPARGNAPRTGSK3BDYRK1ADHODH
SCHEMBL4135851 0.71 GSK3B (0.39) NAPRTGSK3BDYRK1ADHODH
SCHEMBL4131563 0.71 NAPRT (0.35) NAPRTGSK3BDYRK1ARAB9AMEN1

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 MTNR1A 479/4885PPARG 2455/4885HPGD 2227/4885

“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.