SCHEMBL5107516

SCHEMBL5107516

O=C(NC1CCCCC1)c1c(O)c2ccsc2[nH]c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.63
RAB9A P51151 6/20 0.63
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 2/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42

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
SCHEMBL7308018 0.83 HTR3A (0.50) NPC1RAB9APOLBSMN1; SMN2RXFP1
SCHEMBL7301719 0.82 HTR3E (0.51) NPC1RAB9APOLBSMN1; SMN2RXFP1
SCHEMBL4698095 0.79 NPC1 (0.68) NPC1RAB9APOLBSMN1; SMN2RXFP1
SCHEMBL1622809 0.78 RAB9A (1.00) NPC1RAB9APOLBSMN1; SMN2RXFP1
SCHEMBL22639784 0.78 RAB9A (1.00) NPC1RAB9APOLBSMN1; SMN2RXFP1
SCHEMBL5529629 0.74 NPC1 (0.71) NPC1RAB9APOLBSMN1; SMN2RXFP1
SCHEMBL13598070 0.74 NPC1 (0.71) NPC1RAB9APOLBSMN1; SMN2RXFP1
SCHEMBL4154430 0.73 EGLN1 (0.47) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL5107518 0.73 SLC22A12 (0.53) NPC1RAB9APOLBRXFP1MEN1
SCHEMBL30363572 0.71 NPC1 (0.57) NPC1RAB9APOLBSMN1; SMN2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
US-7365200-B2 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS (US) 2008-04-29 US disclosed
US-7365200-B2 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS (US) 2008-04-29 US disclosed
US-7365200-B2 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS (US) 2008-04-29 US disclosed
US-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-08-02 US disclosed
US-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-08-02 US disclosed
US-20060229314-A1 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS 2006-10-12 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 (3 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-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS MIF, MMP12, MSR1 NPC1 1125/4885RAB9A 1591/4885POLB 4430/4885
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES TNF, TNFRSF1A, TNFRSF9 NPC1 626/4885RAB9A 3433/4885POLB 1737/4885
US-20060229314-A1 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors MIF, MMP12, MSR1 NPC1 1125/4885RAB9A 1591/4885POLB 4430/4885

“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.