SCHEMBL5758459

SCHEMBL5758459

O=C(c1[nH]c(S)nc1-c1ccccc1)N1CCN(c2cccc(CO)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.47
USP2 O75604 6/20 0.42
CYP1A2 P05177 5/20 0.42
CYP2C19 P33261 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TACR3 P29371 1/20 0.42
MAPK1 P28482 4/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
GFER P55789 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A7 Q99884 1/20 0.40

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
SCHEMBL5761581 0.89 MGLL (0.47) MGLLUSP2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL1384337 0.88 MGLL (0.47) MGLLUSP2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL1380445 0.85 TAAR1 (0.56) MGLLUSP2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL6501734 0.85 MGLL (0.45) MGLLUSP2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL1384633 0.85 USP2 (0.47) MGLLUSP2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL1381981 0.83 SMO (0.48) MGLLUSP2ALDH1A1TACR3MAPK1
SCHEMBL1381909 0.82 GFER (0.54) MGLLUSP2TACR3MAPK1GFER
SCHEMBL1383740 0.76 ALDH1A1 (0.46) MGLLUSP2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL1382383 0.76 ALDH1A1 (0.48) MGLLUSP2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5751693 0.75 CYP1A2 (0.46) MGLLUSP2CYP1A2CYP2C19SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US 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 MGLL 3492/4885USP2 2195/4885CYP1A2 46/4885

“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.