SCHEMBL5558790

SCHEMBL5558790

C=C(CN1CCN(C)CC1)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(C(=O)OC)c1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASR P41180 19/20 0.76
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
Hydrochloric Acid SCHEMBL4400448 0.99 CASR (0.75) CASRMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4391850 0.91 CASR (0.75) CASR
Hydrochloric Acid SCHEMBL4391772 0.90 CASR (0.74) CASR
SCHEMBL4393814 0.88 CASR (0.68) CASRMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4391994 0.88 CASR (0.71) CASR
SCHEMBL4391788 0.88 CASR (0.58) CASR
SCHEMBL4400550 0.86 CASR (1.00) CASR
SCHEMBL4391778 0.83 CASR (0.51) CASRSMN1; SMN2
Hydrochloric Acid SCHEMBL4402008 0.83 CASR (0.51) CASRALDH1A1SMN1; SMN2
SCHEMBL4396703 0.82 CASR (0.65) CASRMEN1ALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2007-07-26 US claimed

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-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885MEN1 2571/4885ALDH1A1 3190/4885

“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.