SCHEMBL1381849

SCHEMBL1381849

O=C(O)CCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TSHR P16473 4/20 0.54
KDM4E B2RXH2 1/20 0.54
HTR1A P08908 4/20 0.52
HTR7 P34969 3/20 0.52
LMNA P02545 3/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.51
ALOX15 P16050 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 1/20 0.48
GRM5 P41594 1/20 0.47

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
SCHEMBL6503195 0.89 TSHR (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL6503249 0.89 TSHR (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL5763601 0.87 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL6494890 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL5760591 0.80 USP2 (0.47) ALDH1A1MEN1KMT2ATSHRHTR7
SCHEMBL6495850 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL6502353 0.78 NOTUM (0.44) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL6494998 0.77 DRD2 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1383360 0.76 NOTUM (0.46) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL5789544 0.74 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR

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 240/4885SMN1; SMN2 4793/4885MEN1 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.