SCHEMBL1031849

SCHEMBL1031849

COc1ccc(N2CCN(C(=O)c3c(-c4ccco4)c(C)cn3C)CC2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
MAPT P10636 7/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
ESR2 Q92731 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 6/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
REV1 Q9UBZ9 1/20 0.41

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
SCHEMBL1029795 0.77 KDM4E (0.42) ALDH1A1MAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL1029080 0.74 MAPT (0.52) ALDH1A1MAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL1027735 0.72 ALDH1A1 (0.53) ALDH1A1MAPTHSD17B10LMNAPOLB
SCHEMBL1032278 0.72 MAPT (0.52) ALDH1A1MAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL1032266 0.72 KDM4E (0.55) ALDH1A1KDM4ESMN1; SMN2LMNAPOLB
SCHEMBL1031500 0.71 KMT2A (0.54) ALDH1A1MAPTSMN1; SMN2USP2LMNA
SCHEMBL1031774 0.70 MAPT (0.49) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL1032301 0.70 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2HSD17B10POLB
SCHEMBL19049589 0.69 NOTUM (0.50) ALDH1A1MAPTKDM4EHSD17B10KMT2A
SCHEMBL1750275 0.69 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US claimed
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US disclosed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP disclosed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 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-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 ALDH1A1 2168/4885MAPT 1404/4885KDM4E 829/4885

“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.