SCHEMBL330223

SCHEMBL330223

O=C(Nc1cc(-c2ccccc2)[nH]n1)c1cc(Br)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.65
ALPI P09923 1/20 0.65
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
PKM P14618 1/20 0.52
BRAF P15056 2/20 0.50
NPY5R Q15761 2/20 0.49
RET P07949 1/20 0.47
KDR P35968 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
EIF2AK2 P19525 1/20 0.47
SORT1 Q99523 1/20 0.45

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
SCHEMBL4264906 0.86 ALPL (0.78) ALPLALPINPC1RAB9AMAPT
SCHEMBL19442479 0.78 HSP90AA1 (0.55) ALPLALPINPC1RAB9AMAPT
SCHEMBL6562826 0.77 NPC1 (1.00) ALPLALPINPC1RAB9AMAPT
SCHEMBL6565951 0.77 ALPL (0.76) ALPLALPINPC1RAB9AMAPT
SCHEMBL6564725 0.77 RAB9A (1.00) ALPLALPINPC1RAB9AMAPT
SCHEMBL1663611 0.75 NPC1 (0.89) ALPLALPINPC1RAB9AMAPT
SCHEMBL330113 0.74 TMPRSS4 (0.67) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL30343477 0.74 TMPRSS4 (0.67) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL6566353 0.73 NPC1 (1.00) ALPLALPINPC1RAB9AMAPT
Dibromsalan SCHEMBL29211119 0.72 PLAU (0.66) NPC1RAB9AMAPTMEN1KMT2A

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 8 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
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 (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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALPL 2230/4885ALPI 1055/4885NPC1 896/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALPL 2503/4885ALPI 1121/4885NPC1 978/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB ALPL 2375/4885ALPI 1932/4885NPC1 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.