SCHEMBL330637

SCHEMBL330637

O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1cc(Br)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.56
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 4/20 0.56
NR4A2 P43354 2/20 0.56
TDP1 Q9NUW8 5/20 0.56
HTT P42858 4/20 0.56
HPGD P15428 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CYP1A2 P05177 2/20 0.56
POLB P06746 1/20 0.56
HSP90AA1 P07900 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
CCR6 P51684 1/20 0.56
MAPT P10636 2/20 0.55
RECQL P46063 1/20 0.53
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.43

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
SCHEMBL330328 0.79 MEN1 (0.47) LMNAKDM4EALDH1A1TDP1HPGD
SCHEMBL15774288 0.75 KDM4E (0.57) LMNAKDM4EALDH1A1NR4A2TDP1
SCHEMBL330992 0.74 XIAP (0.56) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3278037 0.74 ADORA3 (0.52) LMNAKDM4EALDH1A1HTTHPGD
SCHEMBL330259 0.74 KMT2A (0.60) LMNAKDM4EALDH1A1HTTHPGD
SCHEMBL330113 0.72 TMPRSS4 (0.67) LMNAKDM4EHTTHPGDCYP1A2
SCHEMBL30343477 0.72 TMPRSS4 (0.67) LMNAKDM4EHTTHPGDCYP1A2
SCHEMBL330674 0.72 RAB9A (0.64) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL12768294 0.72 KDM4E (1.00) LMNAKDM4EALDH1A1NR4A2TDP1
SCHEMBL2162373 0.72 HTT (1.00) LMNAKDM4EALDH1A1NR4A2TDP1

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 10 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-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
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 (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 LMNA 3645/4885KDM4E 4017/4885ALDH1A1 479/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A LMNA 3899/4885KDM4E 3953/4885ALDH1A1 563/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A LMNA 3899/4885KDM4E 3953/4885ALDH1A1 563/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A LMNA 3899/4885KDM4E 3953/4885ALDH1A1 563/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB LMNA 2842/4885KDM4E 3631/4885ALDH1A1 1025/4885

“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.