SCHEMBL4394742

SCHEMBL4394742

C=C(CN1CCNCC1)CN(CCCOc1ccccc1C#N)C(=O)Nc1cccc(C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.53
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ROCK2 O75116 1/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
CHRM3 P20309 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL4394368 0.96 CASR (0.50) CASRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6989235 0.93 CASR (0.45) CASRMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4394783 0.92 CASR (0.42) CASRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4401811 0.91 CASR (0.42) CASRALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL4399190 0.87 CASR (0.41) CASRALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL4392185 0.87 KCNA5 (0.42) CASRALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL14472757 0.84 CASR (0.35) CASRMEN1KMT2ATSHRRAB9A
SCHEMBL4396611 0.83 CASR (0.61) CASRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4393930 0.83 CASR (0.57) CASRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4399460 0.83 KCNA5 (0.43) ALDH1A1KMT2ASMN1; SMN2TSHRCYP1A2

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 CASR 2192/4885ALDH1A1 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 CASR 2483/4885ALDH1A1 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.