SCHEMBL5611076

SCHEMBL5611076

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
AKR1C3 P42330 1/20 0.35
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL14586879 1.00 MAPT (0.40) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL5611077 1.00 MAPT (0.40) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL5611040 0.89 MAPT (0.34) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL14586878 0.89 MAPT (0.34) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL5611082 0.77 NPC1 (0.42) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL5611084 0.77 NPC1 (0.42) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL14586877 0.77 NPC1 (0.42) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL14586883 0.76 KDM4E (0.47) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL14586881 0.75 CTSK (0.41) MAPTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL14586918 0.75 ALDH1A1 (0.38) MAPTALDH1A1SMN1; SMN2LMNAKDM4E

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 399/4885SMN1; SMN2 4473/4885
US-20050096364-A1 Iminothiazolidinones as inhibitors of HCV replication EIF2AK2, RTF2, IFNAR1 MAPT 3563/4885ALDH1A1 1462/4885SMN1; SMN2 3916/4885

“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.