SCHEMBL741908

SCHEMBL741908

N#Cc1cc(CCC(O)CO)ccn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
MYC P01106 1/20 0.35
MMP12 P39900 3/20 0.34
MMP13 P45452 3/20 0.34
PARP14 Q460N5 1/20 0.32
PDCD1 Q15116 5/20 0.32
CD274 Q9NZQ7 5/20 0.32
STAT3 P40763 1/20 0.32
PDE4A P27815 1/20 0.31
RECQL P46063 1/20 0.31
XDH P47989 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
GRM2 Q14416 1/20 0.30
KIT P10721 1/20 0.30
BRAF P15056 1/20 0.30
RAF1 P04049 1/20 0.30

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
SCHEMBL13063486 0.81 MYC (0.35) PRMT5WDR77MYCPARP14PDCD1
SCHEMBL2020180 0.80 MYC (0.41) PRMT5WDR77MYCPARP14PDCD1
SCHEMBL4526795 0.78 MYC (0.39) PRMT5WDR77MYCPARP14PDCD1
SCHEMBL454924 0.77 RECQL (0.52) PRMT5WDR77MYCPARP14PDE4A
SCHEMBL13071752 0.76 NOS3 (0.49) MMP12MMP13STAT3RECQL
SCHEMBL14614499 0.74 LOXL2 (0.45) MYCRECQLXDHABCG2
SCHEMBL4833060 0.74 MYC (0.37) PRMT5WDR77MYCPARP14RECQL
SCHEMBL2547947 0.74 CTSK (0.40) MYCPARP14XDHABCG2GRM2
SCHEMBL2960938 0.74 MEN1 (0.52) PRMT5WDR77MYCPARP14PDE4A
Hydrochloric Acid SCHEMBL2020607 0.72 LOXL2 (0.44) MYCRECQL

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765739-B2 Azetidine compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-07-01 US disclosed
US-8765739-B2 Azetidine compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-07-01 US disclosed
EP-2431365-A1 AZETIDINE COMPOUND AND MEDICINAL USE THEREOF Japan Tobacco, Inc. (JP) 2012-03-21 EP disclosed
US-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-12-30 US disclosed
US-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-12-30 US disclosed
US-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-12-30 US 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-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP2C9, QDPR PRMT5 2900/4885WDR77 3911/4885MYC 3167/4885

“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.