SCHEMBL1382383

SCHEMBL1382383

O=C(c1cc[nH]c1-c1ccccc1)N1CCN(c2cccc(CO)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
USP2 O75604 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.48
TACR3 P29371 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
GFER P55789 1/20 0.45
POLB P06746 1/20 0.44
SLC6A7 Q99884 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MGLL Q99685 1/20 0.43
HTT P42858 1/20 0.43
GRM5 P41594 1/20 0.43
MAPK14 Q16539 1/20 0.43
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL6493648 0.85 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL5761570 0.83 USP2 (0.52) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL1382820 0.81 SMO (0.49) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL1381909 0.80 GFER (0.54) USP2MEN1KMT2ATSHRTACR3
SCHEMBL6503140 0.80 MEN1 (0.45) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL6493406 0.79 ALDH1A1 (0.47) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL1382825 0.78 ALDH1A1 (0.46) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL1381669 0.77 LMNA (0.49) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL5761581 0.77 MGLL (0.47) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL18586080 0.76 GRM5 (0.52) ALDH1A1USP2MEN1KMT2ATSHR

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 240/4885USP2 2195/4885MEN1 1456/4885

“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.