SCHEMBL5067154

SCHEMBL5067154

O=C(Nc1nnc(C(F)(F)F)s1)c1cc(Br)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
HTT P42858 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
TMPRSS4 Q9NRS4 1/20 0.56
RAB9A P51151 5/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51

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
SCHEMBL14885963 0.85 TAS1R3 (0.60) NPC1HTTSMN1; SMN2LMNAMEN1
SCHEMBL3284528 0.82 NPC1 (0.67) NPC1HTTSMN1; SMN2LMNAMEN1
SCHEMBL330403 0.79 TMPRSS4 (0.55) SMN1; SMN2TMPRSS4MAPTGAAF2
SCHEMBL3475608 0.76 TMPRSS4 (0.52) SMN1; SMN2TMPRSS4MAPTGAAF2
SCHEMBL13055723 0.75 TMPRSS4 (0.50) HTTMEN1KMT2ATMPRSS4RAB9A
SCHEMBL332059 0.74 TMPRSS4 (0.49) NPC1MEN1KMT2ATMPRSS4RAB9A
SCHEMBL13524052 0.74 STAT3 (0.50) NPC1SMN1; SMN2LMNATMPRSS4RAB9A
SCHEMBL28785951 0.74 BLM (0.59) NPC1HTTSMN1; SMN2LMNAMEN1
SCHEMBL30771749 0.72 TMPRSS4 (0.80) NPC1SMN1; SMN2MEN1KMT2ATMPRSS4
SCHEMBL17845892 0.72 TMPRSS4 (0.80) NPC1SMN1; SMN2MEN1KMT2ATMPRSS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP 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-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NPC1 978/4885HTT 3223/4885SMN1; SMN2 4859/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB NPC1 1519/4885HTT 3559/4885SMN1; SMN2 4820/4885

“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.