SCHEMBL1383360

SCHEMBL1383360

N#Cc1cccc(N2CCN(C(=O)c3cn(CO)cc3-c3ccccc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
SMO Q99835 1/20 0.45
CHRM4 P08173 2/20 0.44
SLC6A9 P48067 1/20 0.44
ALDH1A1 P00352 4/20 0.44
USP2 O75604 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
DRD2 P14416 3/20 0.43
SLC6A7 Q99884 2/20 0.43
LMNA P02545 2/20 0.43
DRD3 P35462 2/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NAMPT P43490 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6502353 0.92 NOTUM (0.44) NOTUMSMOCHRM4SLC6A9ALDH1A1
SCHEMBL1384516 0.85 ABCG2 (0.48) SMOCHRM4ALDH1A1MEN1KMT2A
SCHEMBL1380695 0.83 SLC6A9 (0.45) NOTUMSMOCHRM4SLC6A9ALDH1A1
SCHEMBL6506210 0.83 CHRM4 (0.42) NOTUMSMOCHRM4SLC6A9TSHR
SCHEMBL1382166 0.82 DRD2 (0.48) NOTUMSMOCHRM4SLC6A9ALDH1A1
SCHEMBL5762896 0.78 LMNA (0.47) ALDH1A1USP2TSHRMEN1KMT2A
SCHEMBL1382820 0.78 SMO (0.49) NOTUMSMOCHRM4ALDH1A1USP2
SCHEMBL6494963 0.77 DRD2 (0.43) NOTUMSMOCHRM4SLC6A9ALDH1A1
SCHEMBL5760301 0.77 SMO (0.48) NOTUMSMOCHRM4SLC6A9ALDH1A1
SCHEMBL5820729 0.76 SLC6A9 (0.39) NOTUMSMOCHRM4SLC6A9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4805813-B2 2011-11-02 JP claimed
EP-1641765-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-04-05 EP claimed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
WO-2004108685-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-12-16 WO claimed
EP-1641765-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-04-05 EP disclosed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US disclosed
WO-2004108685-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-12-16 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 (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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC NOTUM 3896/4885SMO 2088/4885CHRM4 4347/4885

“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.