SCHEMBL4826306

SCHEMBL4826306

O=C(Nc1ncon1)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ADORA1 P30542 5/20 0.46
ADORA2A P29274 3/20 0.46
ADORA3 P0DMS8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PTPN1 P18031 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN2 P17706 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5650768 0.71 SMN1; SMN2 (0.50) TSHRADORA1ADORA2AADORA3SMN1; SMN2
SCHEMBL29452940 0.71
SCHEMBL5651294 0.70 HDAC3 (0.50) TSHRADORA1ADORA2AADORA3SMN1; SMN2
SCHEMBL4826311 0.69 KDM4E (0.52) MEN1KMT2AHDAC6MAPK1
SCHEMBL31241104 0.68 ADORA1 (0.47) TSHRADORA1ADORA2AADORA3SMN1; SMN2
SCHEMBL5653762 0.67 NAMPT (0.51) TSHRADORA1ADORA2AADORA3SMN1; SMN2
SCHEMBL13702080 0.67 ABL1 (0.50) TSHRSMN1; SMN2PTPN1HPGDMEN1
SCHEMBL1948869 0.66 NPSR1 (0.75) SMN1; SMN2PTPN1HPGDLMNANPSR1
SCHEMBL11002950 0.66 HDAC3 (0.49) TSHRADORA1ADORA2AADORA3SMN1; SMN2
SCHEMBL5654440 0.66 NAMPT (0.50) TSHRADORA1SMN1; SMN2PTPN1HPGD

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-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 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 (2 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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 TSHR 3882/4885ADORA1 3089/4885ADORA2A 3079/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 TSHR 3882/4885ADORA1 3089/4885ADORA2A 3079/4885

“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.