SCHEMBL4400761

SCHEMBL4400761

C=C(CN1CCNCC1)CN(CCc1ccc(OC)cc1)C(=O)NCc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
CXCR4 P61073 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MLNR O43193 3/20 0.41
CHRM3 P20309 1/20 0.39
MAPK8 P45983 1/20 0.39
PSMB5 P28074 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 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
SCHEMBL4401960 0.85 ALDH1A1 (0.47) KMT2AALDH1A1MEN1POLBSMN1; SMN2
SCHEMBL4401054 0.85 HTT (0.40) KMT2AALDH1A1POLBCHRM3HTT
SCHEMBL4400538 0.82 SMN1; SMN2 (0.43) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4394376 0.80 CCR5 (0.51) KMT2AALDH1A1MEN1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL4399450 0.80 CASR (0.44) KMT2AMEN1
SCHEMBL4393209 0.79 SMN1; SMN2 (0.46) KMT2AALDH1A1MEN1SMN1; SMN2MLNR
SCHEMBL13672947 0.79 ALDH1A1 (0.34) KMT2AALDH1A1MEN1POLBCHRM3
SCHEMBL14472756 0.78 MLNR (0.35) KMT2AALDH1A1MEN1SMN1; SMN2MLNR
SCHEMBL4393787 0.78 CASR (0.42) KMT2AMEN1CXCR4
SCHEMBL4391651 0.77 EPHX2 (0.38) KMT2AALDH1A1MEN1SMN1; SMN2CHRM3

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 KMT2A 3889/4885ALDH1A1 3828/4885MEN1 3080/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 KMT2A 4161/4885ALDH1A1 3190/4885MEN1 2571/4885

“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.