SCHEMBL1380792

SCHEMBL1380792

COc1cc(OC)cc(N2CCN(C(=O)c3[nH]ccc3-c3ccccc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
CCKAR P32238 1/20 0.44
MAPK1 P28482 1/20 0.44
TACR3 P29371 1/20 0.44
NAMPT P43490 1/20 0.44
GAA P10253 1/20 0.44
SMO Q99835 1/20 0.44
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL1381669 0.83 LMNA (0.49) KDM4EALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL5761829 0.81 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL6497029 0.81 ALDH1A1 (0.51) KDM4EALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL6503239 0.80 KDM4E (0.56) KDM4EALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL1382704 0.79 USP2 (0.51) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL1381713 0.77 KDM4E (0.47) KDM4EALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL6504267 0.77 ALDH1A1 (0.48) KDM4EALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL1381055 0.77 LMNA (0.52) KDM4EALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL5760301 0.77 SMO (0.48) ALDH1A1POLBMAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL6495410 0.76 ALDH1A1 (0.47) KDM4EALDH1A1L3MBTL1SMN1; SMN2TP53

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 KDM4E 1246/4885ALDH1A1 240/4885L3MBTL1 3865/4885

“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.