SCHEMBL1381201

SCHEMBL1381201

COc1cc(OC)cc(N2CCN(C(=O)c3nc(O)[nH]c3-c3ccccc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
USP2 O75604 2/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.43
CCKAR P32238 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
SCHEMBL5759703 0.88 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAGAASMN1; SMN2
SCHEMBL5760748 0.88 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAGAASMN1; SMN2
SCHEMBL6496350 0.85 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAGAASMN1; SMN2
SCHEMBL1381669 0.78 LMNA (0.49) ALDH1A1KDM4ELMNAGAASMN1; SMN2
SCHEMBL1381055 0.77 LMNA (0.52) ALDH1A1KDM4ELMNAGAASMN1; SMN2
SCHEMBL1384296 0.75 LMNA (0.50) ALDH1A1KDM4ELMNAGAASMN1; SMN2
SCHEMBL1380076 0.75 TACR3 (0.42) ALDH1A1SMN1; SMN2MAPTNPC1POLB
SCHEMBL1384362 0.74 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAGAASMN1; SMN2
SCHEMBL1381656 0.73 TAAR1 (0.57) ALDH1A1KDM4ELMNAGAASMN1; SMN2
SCHEMBL6502224 0.73 LMNA (0.46) ALDH1A1KDM4ELMNAGAASMN1; SMN2

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 ALDH1A1 240/4885KDM4E 1246/4885LMNA 3596/4885

“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.