SCHEMBL6071483

SCHEMBL6071483

COc1ccc(CC(=O)NN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.60
KMT2A Q03164 3/20 0.57
MAPT P10636 3/20 0.56
THRB P10828 1/20 0.56
HSD17B10 Q99714 1/20 0.54
NPC1 O15118 1/20 0.53
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
GFER P55789 1/20 0.53
KCNQ2 O43526 1/20 0.53
SLC1A2 P43004 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL5860879 0.83 CYP2D6 (0.61) MAPTHSD17B10NPC1EGFRERBB2
SCHEMBL11070346 0.78 L3MBTL1 (0.63) KMT2AMAPTNPC1GFERSLC1A2
SCHEMBL13242349 0.76 MAPT (0.76) KMT2AMAPTHSD17B10NPC1GFER
SCHEMBL20419342 0.75 GFER (0.79) KMT2AMAPTHSD17B10GFERL3MBTL1
SCHEMBL18840962 0.75 CCR3 (1.00) CCR3MAPTTHRBALDH1A1
SCHEMBL24336168 0.75 GFER (0.56) CCR3KMT2AMAPTTHRBHSD17B10
SCHEMBL6153220 0.74 ALDH1A1 (0.66) KMT2AMAPTNPC1SLC1A2L3MBTL1
SCHEMBL6071110 0.74 SIGMAR1 (0.56) KMT2AMAPTL3MBTL1SIGMAR1HTT
SCHEMBL13242339 0.73 KMT2A (0.74) KMT2AMAPTHSD17B10NPC1SLC1A2
SCHEMBL11071924 0.72 KMT2A (0.71) KMT2AMAPTNPC1GFERL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6991902-B2 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2006-01-31 US disclosed
US-6893815-B1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2005-05-17 US disclosed
US-20030003505-A1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. 2003-01-02 US disclosed
US-20020009748-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. 2002-01-24 US disclosed
WO-1999000669-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. (US) 1999-01-07 WO 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-20020009748-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION PNP, ATIC, DPYD CCR3 1011/4885KMT2A 3591/4885MAPT 4034/4885
US-20030003505-A1 Nucleobase heterocyclic combinatorialization PNP, ATIC, DPYD CCR3 1011/4885KMT2A 3591/4885MAPT 4034/4885

“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.