SCHEMBL1380076

SCHEMBL1380076

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.42
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.40
HSP90AA1 P07900 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
SMPD3 Q9NY59 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38

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
SCHEMBL6496350 0.87 ALDH1A1 (0.45) KMT2APOLBNPC1RAB9AMAPT
SCHEMBL1381201 0.75 ALDH1A1 (0.46) KMT2APOLBNPC1RAB9AMAPT
SCHEMBL5759703 0.72 ALDH1A1 (0.46) KMT2APOLBNPC1RAB9AMAPT
SCHEMBL5760748 0.71 ALDH1A1 (0.45) KMT2APOLBNPC1RAB9AMAPT
SCHEMBL1381669 0.64 LMNA (0.49) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL2020525 0.63 ALDH1A1 (0.71) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL24189991 0.62 SMN1; SMN2 (0.75) MEN1KMT2APOLBNPC1MAPT
SCHEMBL1381055 0.61 LMNA (0.52) KMT2APOLBNPC1RAB9AMAPT
SCHEMBL28207457 0.61 RAB9A (0.72) KMT2APOLBNPC1RAB9AHSP90AA1
SCHEMBL6497029 0.60 ALDH1A1 (0.51) MEN1KMT2APOLBNPC1RAB9A

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 TACR3 4196/4885TACR2 3216/4885TACR1 2145/4885

“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.