SCHEMBL4400538

SCHEMBL4400538

C=C(CN1CCNCC1)CN(CCc1ccc(OC)cc1)C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
REV1 Q9UBZ9 1/20 0.42
PPARA Q07869 1/20 0.42
MAPKAPK2 P49137 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BMP1 P13497 1/20 0.40
MCHR1 Q99705 1/20 0.40
GFER P55789 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
SCHEMBL4393209 0.91 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1PPARAMEN1KMT2A
SCHEMBL4392178 0.88 CASR (0.52) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4401960 0.85 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4394593 0.84 CASR (0.53) ALDH1A1
Hydrochloric Acid SCHEMBL4391804 0.84 CASR (0.53) ALDH1A1
SCHEMBL4401979 0.83 DRD4 (0.41) ALDH1A1KDM4EMAPTNPSR1MEN1
SCHEMBL4394677 0.82 CASR (0.45) ALDH1A1KDM4EMAPTNPSR1MEN1
SCHEMBL4400761 0.82 KMT2A (0.44) SMN1; SMN2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4403194 0.81 CASR (0.50) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4396970 0.81 KMT2A (0.48) SMN1; SMN2PPARAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605261-B2 Urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AMGEN INC. (US) 2009-10-20 US disclosed
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 disclosed
US-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use PROSKELIA SAS (FR) 2004-03-18 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 (2 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-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use HRH4, HRH2, RPS2 SMN1; SMN2 1662/4885ALDH1A1 3828/4885KDM4E 2705/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 SMN1; SMN2 2522/4885ALDH1A1 3190/4885KDM4E 2000/4885

“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.