SCHEMBL5611038

SCHEMBL5611038

Cc1cnc(CN2C(=O)C(c3ccc(N)cc3)S/C2=N/c2ccc(N3CCOCC3)cc2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.34
ALDH1A1 P00352 5/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EGLN1 Q9GZT9 1/20 0.32
FLT3 P36888 1/20 0.31
CSF1R P07333 2/20 0.31
LGMN Q99538 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 2/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 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
SCHEMBL5611040 1.00 MAPT (0.34) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL14586878 1.00 MAPT (0.34) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL5611076 0.89 MAPT (0.40) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL5611077 0.89 MAPT (0.40) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL5611084 0.79 NPC1 (0.42) MAPTALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL14586877 0.79 NPC1 (0.42) MAPTALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL5611082 0.79 NPC1 (0.42) MAPTALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL14586881 0.78 CTSK (0.41) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL14586918 0.78 ALDH1A1 (0.38) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL14586883 0.77 KDM4E (0.47) ALDH1A1TSHRKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183302-B2 Iminothiazolidinones as inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 US disclosed
US-20050096364-A1 Iminothiazolidinones as inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 US disclosed
US-20050069522-A1 Combination pharmaceutical agents as inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2005-03-31 US disclosed
WO-2004014852-A2 IMINOTHIAZOLIDINONES AS INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 WO disclosed
WO-2004014313-A2 COMBINATION PHARMACEUTICAL AGENTS AS INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 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-20050069522-A1 Combination pharmaceutical agents as inhibitors of HCV replication IMPDH1, IMPDH2, IMPA1 MAPT 4776/4885ALDH1A1 399/4885RAB9A 1404/4885
US-20050096364-A1 Iminothiazolidinones as inhibitors of HCV replication EIF2AK2, RTF2, IFNAR1 MAPT 3563/4885ALDH1A1 1462/4885RAB9A 1623/4885

“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.