SCHEMBL6394233

SCHEMBL6394233

COc1ccccc1C(=O)NCC1SC(N[C@@H](C)C2CCCCC2)=NC1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.40
KCNA3 P22001 5/20 0.40
OPRM1 P35372 1/20 0.39
HCN1 O60741 1/20 0.39
HCN4 Q9Y3Q4 1/20 0.39
RPS6KB1 P23443 1/20 0.39
P2RX7 Q99572 1/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL6506099 0.87 RPS6KB1 (0.40) NPC1RAB9AKMT2AATMOPRM1
SCHEMBL6387711 0.71 DAPK3 (0.40) RPS6KB1
SCHEMBL6389539 0.71 DAPK3 (0.40) RPS6KB1
SCHEMBL6386637 0.69 POLB (0.51) NPC1RAB9AHPGD
SCHEMBL6501631 0.69 POLB (0.51) NPC1RAB9AHPGD
SCHEMBL6386456 0.69 TSHR (0.44) NPC1RAB9AKMT2ARPS6KB1
SCHEMBL6499328 0.69 ALDH1A1 (0.50) MEN1KMT2A
SCHEMBL6508183 0.69 ALDH1A1 (0.50) MEN1KMT2A
SCHEMBL30855410 0.68 HPGD (0.59) NPC1RAB9AMEN1KMT2AOPRM1
SCHEMBL30848453 0.68 HPGD (0.60) NPC1RAB9AMEN1KMT2AKCNA3

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 NPC1 277/4885RAB9A 2649/4885MEN1 979/4885

“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.