SCHEMBL1383740

SCHEMBL1383740

Nc1nc(-c2ccccc2)c(C(=O)N2CCN(c3cccc(CO)c3)CC2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 5/20 0.46
MAPT P10636 5/20 0.43
HPGD P15428 5/20 0.43
ALOX15 P16050 4/20 0.43
HTT P42858 2/20 0.43
DUSP3 P51452 2/20 0.43
PTPN7 P35236 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
SCD O00767 2/20 0.43
SCD5 Q86SK9 1/20 0.43
MGLL Q99685 1/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TACR3 P29371 1/20 0.42
USP2 O75604 3/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 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
SCHEMBL1382338 0.86 USP2 (0.48) ALDH1A1HSD17B10MAPTSCDSCD5
SCHEMBL1381842 0.83 SMO (0.48) ALDH1A1HSD17B10MAPTSCDSCD5
SCHEMBL1381524 0.81 POLB (0.52) ALDH1A1HSD17B10MAPTHPGDALOX15
SCHEMBL5761581 0.77 MGLL (0.47) ALDH1A1HSD17B10MAPTHPGDSCD
SCHEMBL5875575 0.77 ALDH1A1 (0.55) ALDH1A1HSD17B10MAPTHPGDALOX15
SCHEMBL1384337 0.76 MGLL (0.47) ALDH1A1HSD17B10MAPTMGLLMAPK1
SCHEMBL5758459 0.76 MGLL (0.47) ALDH1A1HSD17B10MAPTHPGDSCD
SCHEMBL1383839 0.76 LMNA (0.48) MAPTSCDSCD5MGLLMAPK1
SCHEMBL1381909 0.76 GFER (0.54) MAPTMGLLMAPK1KDM4ETACR3
SCHEMBL5751693 0.75 CYP1A2 (0.46) ALDH1A1MAPTHPGDHTTSCD

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 240/4885HSD17B10 979/4885MAPT 3583/4885

“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.