SCHEMBL1750291

SCHEMBL1750291

CC/C(=C/c1ccc(C)cc1)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 8/20 0.47
MEN1 O00255 1/20 0.41
JAK2 O60674 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
NTSR1 P30989 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGS2 P35354 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NFE2L2 Q16236 1/20 0.39
CYP2A6 P11509 1/20 0.39

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
SCHEMBL1032674 1.00 FBP1 (0.47) FBP1MEN1JAK2MITFALDH1A1
SCHEMBL13092439 0.85 ESR1 (0.50) FBP1MEN1JAK2MITFALDH1A1
SCHEMBL6466356 0.84 FBP1 (0.59) FBP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL11468825 0.84 FBP1 (0.61) FBP1MEN1JAK2MITFALDH1A1
SCHEMBL11468826 0.84 FBP1 (0.61) FBP1MEN1JAK2MITFALDH1A1
SCHEMBL6466353 0.84 FBP1 (0.59) FBP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL6466349 0.84 FBP1 (0.59) FBP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL23112863 0.83 FBP1 (0.61) FBP1MEN1JAK2MITFALDH1A1
SCHEMBL8137951 0.83 FBP1 (0.61) FBP1MEN1JAK2MITFALDH1A1
SCHEMBL11003556 0.81 FBP1 (0.51) FBP1MEN1JAK2MITFALDH1A1

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 2 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 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 FBP1 603/4885MEN1 4776/4885JAK2 2418/4885

“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.