SCHEMBL1031804

SCHEMBL1031804

Cc1ccc(-c2c(C)cn(C)c2C(=O)NCc2cc(F)cc(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.41
MET P08581 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 3/20 0.40
TP53 P04637 3/20 0.40
POLB P06746 1/20 0.40
RIPK1 Q13546 1/20 0.40
TACR1 P25103 1/20 0.39
AURKA O14965 1/20 0.39
METAP2 P50579 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
WDR5 P61964 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MMP1 P03956 1/20 0.38
MMP7 P09237 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
SCHEMBL1032170 0.91 RIPK1 (0.47) ALDH1A1METLMNARIPK1TACR1
SCHEMBL1032465 0.80 TP53 (0.42) ALDH1A1KMT2AMEN1LMNATP53
SCHEMBL1030359 0.77 TDP1 (0.60) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL1030747 0.73 NPC1 (0.53) KMT2ATP53SMN1; SMN2
SCHEMBL1032781 0.73 MMP13 (0.54) ALDH1A1LMNAPOLBSMN1; SMN2MMP1
SCHEMBL1081685 0.73 NPSR1 (0.60) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL1027589 0.73 MAPT (0.41) ALDH1A1KMT2AMEN1LMNATP53
SCHEMBL1032752 0.72 EPHX1 (0.40) RIPK1TACR1AURKAMETAP2
SCHEMBL1031789 0.72 ROCK2 (0.52) ALDH1A1KMT2AMEN1LMNATP53
SCHEMBL1029323 0.71 MAPK14 (0.57) AKR1C3WDR5MMP13

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
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US claimed
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
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 2168/4885KMT2A 1507/4885MET 2577/4885

“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.