SCHEMBL331315

SCHEMBL331315

Oc1ccc(Br)cc1CNc1cc(Cl)cc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
HPGD P15428 4/20 0.52
MAPT P10636 4/20 0.52
HTT P42858 3/20 0.52
PKM P14618 2/20 0.52
P2RX1 P51575 1/20 0.51
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
HIF1A Q16665 2/20 0.48
CYP3A4 P08684 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
CYP2C19 P33261 1/20 0.47
EGFR P00533 2/20 0.47
APAF1 O14727 1/20 0.46

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
SCHEMBL149179 0.80 CA12 (0.64) CA12CA1CA2CA9MEN1
SCHEMBL11241726 0.74 CA1 (0.65) CA12CA1CA2CA9MEN1
SCHEMBL23645841 0.72 ALDH1A1 (0.56) CA12CA1CA2CA9MEN1
SCHEMBL2040520 0.72 MEN1 (0.60) CA12CA1CA2CA9MEN1
SCHEMBL2889487 0.72 ALDH1A1 (0.56) CA12CA1CA2CA9MEN1
SCHEMBL8821719 0.72 CA12 (0.60) CA12CA1CA2CA9MEN1
SCHEMBL13802712 0.71 KDM4E (0.57) CA12CA1CA2CA9MEN1
SCHEMBL15071461 0.69 ALDH1A1 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL6369397 0.69 ALOX15 (0.50) CA12CA1CA2CA9MEN1
SCHEMBL68224 0.68 ALOX15 (0.54) CA12CA1CA2CA9MEN1

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 23 patents — showing the first 20. 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
CN-1658872-B Antiallergic agent INST MED MOLECULAR DESIGN INC 2010-09-22 CN 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-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
CN-100379410-C Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2008-04-09 CN 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
CN-1658854-A Immune related protein kinase inhibitors INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658849-A Inhibitors of AP-1 and NFAT activation INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658850-A Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658872-A Antiallergic agent INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN 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 (10 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-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 CA12 269/4885CA1 85/4885CA2 181/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT CA12 244/4885CA1 83/4885CA2 191/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CA12 4178/4885CA1 3096/4885CA2 1631/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CA12 4119/4885CA1 3116/4885CA2 1778/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CA12 4119/4885CA1 3116/4885CA2 1778/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CA12 4119/4885CA1 3116/4885CA2 1778/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 CA12 4187/4885CA1 1869/4885CA2 509/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR CA12 252/4885CA1 82/4885CA2 166/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR CA12 268/4885CA1 87/4885CA2 182/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB CA12 4370/4885CA1 3456/4885CA2 1269/4885

“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.