SCHEMBL6324404

SCHEMBL6324404

O=C(Nc1cccc(C(=O)O)c1)Nc1nnc(-c2cc(Cl)cc(Cl)c2O)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBS P35520 1/20 0.54
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
HTT P42858 5/20 0.51
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MCL1 Q07820 3/20 0.51
POLB P06746 2/20 0.51
HPGD P15428 1/20 0.51
PAX8 Q06710 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
BLM P54132 6/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
DNMT1 P26358 1/20 0.47
DUSP3 P51452 1/20 0.47
CACNA1B Q00975 1/20 0.47

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
SCHEMBL6324496 0.91 RAB9A (0.49) RAB9ANPC1HTTLMNASMN1; SMN2
SCHEMBL6325028 0.89 RAB9A (0.57) RAB9ANPC1HTTLMNASMN1; SMN2
SCHEMBL6331971 0.87 GAA (0.45) RAB9ANPC1HTTLMNASMN1; SMN2
SCHEMBL6323898 0.86 NPC1 (0.49) RAB9ANPC1HTTLMNASMN1; SMN2
SCHEMBL6323345 0.86 RAB9A (0.50) RAB9ANPC1HTTLMNASMN1; SMN2
SCHEMBL6332537 0.85 STK39 (0.55) RAB9ANPC1MEN1KMT2A
SCHEMBL6324687 0.85 HTT (0.47) RAB9ANPC1HTTLMNASMN1; SMN2
SCHEMBL6327276 0.84 LMNA (0.50) RAB9ANPC1HTTLMNASMN1; SMN2
SCHEMBL6326802 0.84 MAPT (0.55) RAB9ANPC1HTTLMNAKDM4E
SCHEMBL6325956 0.83 BLM (0.53) RAB9ANPC1HTTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 US claimed
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 US disclosed
US-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION 2005-05-19 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 (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-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists CALCRL, CALCR, CALCB CBS 724/4885RAB9A 2407/4885NPC1 673/4885
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 CBS 607/4885RAB9A 3129/4885NPC1 2401/4885

“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.