SCHEMBL4159940

SCHEMBL4159940

Nc1nc(OCCN2CCOCC2)cc(C(=O)O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
KMO O15229 4/20 0.47
BCHE P06276 1/20 0.45
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.45
MAOB P27338 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
KDM4E B2RXH2 3/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL3106043 0.84 KMO (0.46) CASP7CASP6KMOKDM4ETP53
SCHEMBL5491933 0.81 KMO (0.60) KMOKDM4ETP53TSHRMEN1
SCHEMBL6079401 0.81 KDM4E (0.44) CASP7CASP6KMOKDM4ETP53
SCHEMBL3114681 0.79 AKT1 (0.45) KMOKMT2AALDH1A1POLBHTT
SCHEMBL4167841 0.78 CYP1A2 (0.52) CASP7CASP6KMOKDM4ETP53
3-Aminobenzamide SCHEMBL6079400 0.77 LMNA (0.43) CASP7CASP6KMOKDM4ETP53
SCHEMBL3232359 0.76 HTT (0.52) CASP7CASP6KDM4ETP53TSHR
SCHEMBL5490793 0.76 KMO (0.53) KMOKDM4ETP53TSHRMEN1
SCHEMBL3100542 0.75 KDM4E (0.49) KMOKDM4ETP53TSHRMEN1
SCHEMBL3107301 0.73 PIK3CA (0.46) KMOKDM4EPOLBHTT

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
US-20060122156-A1 Heteroaryl compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-06-08 US claimed
WO-2006053109-A1 HETEROARYL COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20060122156-A1 Heteroaryl compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-06-08 US disclosed
WO-2006053109-A1 HETEROARYL COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 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 (4 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-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 CASP7 821/4885CASP6 897/4885KMO 4699/4885
US-20060122156-A1 Heteroaryl compounds IL2, CCL11, IL4 CASP7 484/4885CASP6 457/4885KMO 856/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 CASP7 229/4885CASP6 361/4885KMO 1654/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 CASP7 821/4885CASP6 897/4885KMO 4699/4885

“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.