SCHEMBL6330838

SCHEMBL6330838

O=C(Nc1ccc(C(=O)c2ccccc2F)cc1)Nc1nnc(-c2cc(Cl)cc(Cl)c2O)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.53
NPC1 O15118 9/20 0.53
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 4/20 0.51
RXFP1 Q9HBX9 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.47
KDM4E B2RXH2 5/20 0.47
POLB P06746 2/20 0.43
BLM P54132 6/20 0.43
HTT P42858 6/20 0.43
MCL1 Q07820 4/20 0.43
WRN Q14191 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
DNMT1 P26358 1/20 0.41
DUSP3 P51452 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 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
SCHEMBL6323345 0.88 RAB9A (0.50) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL6329453 0.87 BLM (0.52) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL6323159 0.83 BLM (0.57) RAB9AKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6325012 0.83 RAB9A (0.55) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL6331536 0.82 SMN1; SMN2 (0.44) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL6325047 0.82 SMN1; SMN2 (0.47) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL6325956 0.81 BLM (0.53) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL6321561 0.81 BLM (0.54) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL6323889 0.81 SMN1; SMN2 (0.47) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL6329503 0.81 MAPT (0.58) RAB9ANPC1KMT2AMEN1MAPT

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 RAB9A 3129/4885NPC1 2401/4885KMT2A 4128/4885

“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.