SCHEMBL4401960

SCHEMBL4401960

C=C(CN1CCNCC1)CN(CCc1ccc(OC)cc1)C(=O)NCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 1/20 0.45
PLAAT3 P53816 2/20 0.45
PLAAT5 Q96KN8 2/20 0.45
PLAAT2 Q9NWW9 2/20 0.45
PLAAT4 Q9UL19 2/20 0.45
LPAR1 Q92633 1/20 0.44
LPAR5 Q9H1C0 1/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CHRM3 P20309 2/20 0.43
CHRM5 P08912 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FPR2 P25090 1/20 0.42
MLNR O43193 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL4400761 0.85 KMT2A (0.44) ALDH1A1KMT2AMEN1POLBCHRM3
SCHEMBL4400538 0.85 SMN1; SMN2 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4399312 0.83 CASR (0.42) KMT2AMEN1GAAMLNRSIGMAR1
SCHEMBL4393209 0.82 SMN1; SMN2 (0.46) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL7087375 0.82 CASR (0.47) ALDH1A1KMT2AMEN1POLBNPC1
SCHEMBL4394376 0.82 CCR5 (0.51) ALDH1A1KMT2AMEN1POLBNPC1
SCHEMBL4397200 0.81 SIGMAR1 (0.39) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL4397693 0.80 KDM4E (0.40) ALDH1A1KMT2AMEN1POLBNPC1
SCHEMBL4392178 0.80 CASR (0.52) ALDH1A1KMT2AMEN1CHRM3SMN1; SMN2
SCHEMBL4397159 0.80 CASR (0.40) GAAMLNRSIGMAR1

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