SCHEMBL1383519

SCHEMBL1383519

Cn1cc(C(=O)N2CCN(c3cccc(C(N)=O)c3)CC2)c(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
LMNA P02545 3/20 0.50
USP2 O75604 2/20 0.50
MAPK1 P28482 2/20 0.50
MAPT P10636 1/20 0.50
PARP14 Q460N5 4/20 0.48
PARP10 Q53GL7 2/20 0.48
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.46
SLC6A7 Q99884 1/20 0.46
TNKS O95271 2/20 0.44
PARP1 P09874 2/20 0.44
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL5760591 0.86 USP2 (0.47) TSHRLMNAUSP2MAPK1MAPT
SCHEMBL1381996 0.85 TSHR (0.46) TSHRLMNAUSP2MAPK1MAPT
SCHEMBL6493406 0.85 ALDH1A1 (0.47) TSHRLMNAUSP2MAPK1MAPT
SCHEMBL1381685 0.84 USP2 (0.52) TSHRLMNAUSP2MAPK1MAPT
SCHEMBL1382879 0.81 PARP14 (0.52) TSHRLMNAUSP2MAPK1MAPT
SCHEMBL6504267 0.80 ALDH1A1 (0.48) TSHRLMNAUSP2MAPK1MAPT
SCHEMBL6495942 0.79 PARP14 (0.41) TSHRLMNAUSP2MAPK1MAPT
Hydrochloric Acid SCHEMBL6502821 0.79 ALDH1A1 (0.48) TSHRLMNAUSP2MAPK1MAPT
SCHEMBL5763267 0.78 PARP14 (0.41) TSHRLMNAUSP2MAPK1MAPT
SCHEMBL6502509 0.78 USP2 (0.47) TSHRLMNAUSP2MAPK1MAPT

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 TSHR 3838/4885LMNA 3596/4885USP2 2195/4885

“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.