SCHEMBL6428643

SCHEMBL6428643

O=C(NCC1SC(NC2CCCCCC2)=NC1=O)c1c(F)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
P2RX7 Q99572 7/20 0.40
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
HCRTR1 O43613 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL6390194 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2POLBP2RX7
SCHEMBL6388874 0.91 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2POLBP2RX7
SCHEMBL6504984 0.91 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2POLBP2RX7
SCHEMBL6387573 0.91 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2POLBP2RX7
SCHEMBL6506450 0.86 CHRM1 (0.41) NPC1RAB9AP2RX7HPGDCHRM1
SCHEMBL6388703 0.83 CCNA2 (0.41) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL6392368 0.83 CCNA2 (0.41) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL6390900 0.83 CCNA2 (0.41) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL6426489 0.79 P2RX7 (0.43) NPC1RAB9AP2RX7GAA
SCHEMBL6499658 0.75 CXCR2 (0.36) NPC1RAB9ASMN1; SMN2POLBHCRTR1

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 4 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
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 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 (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 2649/4885SMN1; SMN2 3733/4885

“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.