SCHEMBL330586

SCHEMBL330586

O=C(Nc1nccs1)c1cc(Br)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.71
RAB9A P51151 8/20 0.63
NPC1 O15118 7/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
CYP1A2 P05177 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 2/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 1/20 0.52
GCK P35557 1/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.50
METAP2 P50579 1/20 0.50
METAP1 P53582 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL14886072 0.83 KCNMA1 (1.00) KCNMA1RAB9ANPC1MEN1KMT2A
SCHEMBL3278951 0.80 CYP1A2 (0.73) KCNMA1RAB9ANPC1MEN1KMT2A
SCHEMBL18825301 0.79 RAB9A (0.71) KCNMA1RAB9ANPC1MEN1KMT2A
SCHEMBL13524052 0.78 STAT3 (0.50) KCNMA1RAB9ANPC1CYP1A2SMN1; SMN2
SCHEMBL10930595 0.78 NPC1 (0.69) KCNMA1RAB9ANPC1MEN1KMT2A
SCHEMBL330521 0.76 NPC1 (0.57) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL16688482 0.76 RAB9A (0.60) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL22823848 0.75 HPGD (0.59) KCNMA1RAB9ANPC1MEN1KMT2A
SCHEMBL28550878 0.74 CES2 (0.45) KCNMA1RAB9ANPC1MEN1KMT2A
SCHEMBL15327126 0.74 KCNMA1 (0.58) KCNMA1RAB9ANPC1MEN1KMT2A

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-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-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KCNMA1 3082/4885RAB9A 997/4885NPC1 896/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB KCNMA1 2705/4885RAB9A 1966/4885NPC1 1519/4885

“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.