SCHEMBL330328

SCHEMBL330328

O=C(Nc1nc(-c2ccco2)c(-c2ccco2)o1)c1cc(Br)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
IKBKB O14920 1/20 0.45
LCLAT1 Q6UWP7 4/20 0.43
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
USP2 O75604 1/20 0.41
PTPN7 P35236 1/20 0.41
POLB P06746 2/20 0.40
ALOX15 P16050 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.40
PLA2G1B P04054 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
RECQL P46063 1/20 0.40
GFER P55789 1/20 0.40
ESR2 Q92731 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
SCHEMBL330637 0.79 LMNA (0.56) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL330421 0.68 MAPT (0.44) MEN1KMT2APOLBALOX15KDM4E
SCHEMBL13571181 0.68 LCLAT1 (0.71) KMT2ALCLAT1KDM4ELMNASTAT3
SCHEMBL15889794 0.67 LMNA (0.69) KMT2ALCLAT1KDM4EL3MBTL1LMNA
SCHEMBL30343477 0.65 TMPRSS4 (0.67) MEN1KMT2APOLBALOX15KDM4E
SCHEMBL330113 0.65 TMPRSS4 (0.67) MEN1KMT2APOLBALOX15KDM4E
Dibromsalan SCHEMBL646973 0.64 PLAU (0.73) MEN1KMT2APOLBALOX15ALDH1A1
Dibromsalan SCHEMBL29496335 0.64 PLAU (0.73) MEN1KMT2APOLBALOX15ALDH1A1
SCHEMBL7943952 0.64 KCNMA1 (0.60) MEN1KMT2APOLBALOX15KDM4E
SCHEMBL12368206 0.64 NPC1 (0.67) MEN1KMT2APOLBALOX15KDM4E

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 19 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-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 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-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 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-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 US disclosed
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 US 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 (13 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA MEN1 4484/4885KMT2A 3909/4885IKBKB 2/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 MEN1 2257/4885KMT2A 302/4885IKBKB 626/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 MEN1 3560/4885KMT2A 1205/4885IKBKB 1281/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT MEN1 2381/4885KMT2A 283/4885IKBKB 645/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MEN1 4495/4885KMT2A 4486/4885IKBKB 9/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MEN1 4504/4885KMT2A 4531/4885IKBKB 9/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MEN1 4504/4885KMT2A 4531/4885IKBKB 9/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA MEN1 4288/4885KMT2A 1392/4885IKBKB 1563/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MEN1 4504/4885KMT2A 4531/4885IKBKB 9/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 MEN1 4737/4885KMT2A 2393/4885IKBKB 35/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR MEN1 2142/4885KMT2A 199/4885IKBKB 731/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR MEN1 2098/4885KMT2A 210/4885IKBKB 733/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB MEN1 4661/4885KMT2A 4095/4885IKBKB 3/4885

“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.