SCHEMBL330487

SCHEMBL330487

O=C(Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1)c1cc(Br)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PLTP P55058 3/20 0.43
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.41
XIAP P98170 2/20 0.41
PTGES O14684 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL330837 0.88 XIAP (0.43) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL330671 0.85 PLTP (0.41) MEN1KMT2ANPC1RAB9APLTP
SCHEMBL330992 0.84 XIAP (0.56) MEN1KMT2ANPC1RAB9AXIAP
SCHEMBL3278381 0.80 XIAP (0.47) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL332059 0.80 TMPRSS4 (0.49) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL27600107 0.76 KDR (0.51) MEN1KMT2ANPC1RAB9AALOX15
SCHEMBL330259 0.76 KMT2A (0.60) MEN1KMT2ANPC1RAB9APLTP
SCHEMBL3278037 0.76 ADORA3 (0.52) MEN1KMT2ANPC1RAB9AXIAP
SCHEMBL330636 0.76 PTGDR2 (0.56) MEN1KMT2APLTPKDM4EALDH1A1
SCHEMBL330674 0.74 RAB9A (0.64) MEN1KMT2ANPC1RAB9AKDM4E

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 15 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
CN-101849953-B Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2012-04-25 CN 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
CN-101849953-A Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2010-10-06 CN disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
CN-100370975-C Inflammatory cytokine production dissociation inhibitor INST OF MEDICINE MOLECULAR DES (JP) 2008-02-27 CN disclosed
CN-101125138-A Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2008-02-20 CN 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
CN-1489458-A Inflammatory cytokine production dissociation inhibitor ��ʽ����ҽҩ��������о��� 2004-04-14 CN 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 (5 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 MEN1 4495/4885KMT2A 4486/4885NPC1 896/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MEN1 4504/4885KMT2A 4531/4885NPC1 978/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MEN1 4504/4885KMT2A 4531/4885NPC1 978/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MEN1 4504/4885KMT2A 4531/4885NPC1 978/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB MEN1 4661/4885KMT2A 4095/4885NPC1 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.