SCHEMBL1384362

SCHEMBL1384362

COc1cc(OC)cc(N2CCN(C(=O)c3nc(SC)n(C)c3-c3ccccc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
SMO Q99835 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
CCKAR P32238 3/20 0.44
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 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
SCHEMBL5760748 0.79 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL6494942 0.75 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL1381201 0.74 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL5759703 0.73 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL1380918 0.73 LMNA (0.50) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL6882152 0.73 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL1381524 0.72 POLB (0.52) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL6497029 0.71 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL1381703 0.71 TP53 (0.53) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL1384296 0.71 LMNA (0.50) ALDH1A1KDM4ELMNAGAAL3MBTL1

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 10 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-20050059679-A1 Novel hexacyclic compounds CHUGAI SEIYAKU KABUSHIKI KAISHA 2005-03-17 US 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
US-6825194-B2 AN 11,12-(-N=C(=O,S OR NH)-NH-)CAMPTOTHECIN DERIVATIVE OR AN 11,12-(-N=CH-NH-)CAMPTOTHEDIN DERIVATIVE; ANTICARCINOGENIC, -TUMOR AND -PROLIFERATIVE AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-11-30 US disclosed
US-20030144304-A1 Novel hexacyclic compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-31 US 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 (3 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-20050059679-A1 Novel hexacyclic compounds CYP11B1, CYP11B2, CYP4A11 ALDH1A1 720/4885KDM4E 3364/4885LMNA 2675/4885
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC ALDH1A1 240/4885KDM4E 1246/4885LMNA 3596/4885
US-20030144304-A1 Novel hexacyclic compounds CYP11B1, CYP11B2, CYP51A1 ALDH1A1 499/4885KDM4E 3162/4885LMNA 2667/4885

“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.