SCHEMBL1029856

SCHEMBL1029856

CCCCCNC(=O)c1c(-c2ccco2)c(C)cn1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 3/20 0.39
HPGD P15428 2/20 0.39
CTDSP1 Q9GZU7 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
APOBEC3A P31941 1/20 0.39
ESR2 Q92731 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ4 P56696 1/20 0.37

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
SCHEMBL1030837 0.88 NPC1 (0.44) HTTALDH1A1KDM4EPOLBHPGD
SCHEMBL1032145 0.85 EPHX2 (0.45) HTT
SCHEMBL1032310 0.83 ADORA2A (0.42) HTTALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL1031640 0.82 ALDH1A1 (0.52) HTTALDH1A1KDM4EPOLBHPGD
SCHEMBL1032776 0.81 KMT2A (0.45) ALDH1A1KDM4EPOLBHPGDL3MBTL1
SCHEMBL1033885 0.79 HTT (0.45) HTTALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL1031918 0.79 ALDH1A1 (0.47) HTTALDH1A1KDM4EPOLBHPGD
SCHEMBL1030813 0.76 TSHR (0.46) ALDH1A1POLBGAACYP2D6CYP2C9
SCHEMBL1031499 0.76 SMN1; SMN2 (0.41) ALDH1A1KDM4EHPGDL3MBTL1CYP2D6
SCHEMBL1030443 0.75 RAB9A (0.46) ALDH1A1KDM4EPOLBHPGDCTDSP1

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 HTT 2564/4885ALDH1A1 2168/4885KDM4E 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.