SCHEMBL414456

SCHEMBL414456

CCOC(=O)N1CCN(c2ccccc2CNC)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ALDH1A1 P00352 8/20 0.60
MAPT P10636 6/20 0.60
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.48
ABL1 P00519 1/20 0.48

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
SCHEMBL416461 0.86 ACHE (0.51) GAASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL418681 0.83 RBP4 (0.46) GAASMN1; SMN2ALDH1A1KDM4ETSHR
SCHEMBL3436308 0.80 MAPT (0.78) GAASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL7224481 0.79 GAA (1.00) GAASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL11093641 0.78 GAA (0.72) GAASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL15651250 0.78 GAA (0.72) GAASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL3252759 0.77 PKM (0.78) GAASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL7526465 0.76 GAA (0.68) GAASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL414567 0.75 NCF1 (0.58)
SCHEMBL7981893 0.75 GAA (0.56) GAASMN1; SMN2ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP 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 (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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 GAA 184/4885SMN1; SMN2 4050/4885ALDH1A1 455/4885

“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.