SCHEMBL330504

SCHEMBL330504

O=C(NCCc1ccccc1)c1cc(Br)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
NPC1 O15118 4/20 0.62
RAB9A P51151 3/20 0.62
THRB P10828 2/20 0.60
THRA P10827 1/20 0.60
SYK P43405 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HPGD P15428 2/20 0.57
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NLRP1 Q9C000 1/20 0.57
ALOX15 P16050 1/20 0.53
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52

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
SCHEMBL4928709 0.83 SYK (0.58) NPC1RAB9ATHRBTHRASYK
SCHEMBL129968 0.82 NPC1 (0.82) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL4829684 0.81 KDM4E (0.63) NPC1THRBTHRASYKALDH1A1
SCHEMBL2124884 0.81 NPC1 (0.59) HSP90AA1NPC1RAB9AALDH1A1KDM4E
SCHEMBL8980880 0.80 KDM4E (0.69) HSP90AA1RXFP1ALDH1A1KDM4EHPGD
SCHEMBL11133405 0.79 MAPT (0.70) NPC1RAB9ASYKALDH1A1KDM4E
SCHEMBL28763268 0.79 NPC1 (0.66) NPC1RAB9ASYKALDH1A1HPGD
SCHEMBL27894530 0.79 NPC1 (0.56) HSP90AA1NPC1RAB9AALDH1A1KDM4E
SCHEMBL13812758 0.79 HPGD (0.58) HSP90AA1RXFP1THRBTHRASYK
SCHEMBL6433682 0.79 NPC1 (0.70) NPC1RAB9AALDH1A1KDM4EHPGD

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 16 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-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
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-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 HSP90AA1 1006/4885RXFP1 229/4885NPC1 4422/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT HSP90AA1 1115/4885RXFP1 323/4885NPC1 4407/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HSP90AA1 339/4885RXFP1 1723/4885NPC1 896/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HSP90AA1 393/4885RXFP1 1763/4885NPC1 978/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HSP90AA1 393/4885RXFP1 1763/4885NPC1 978/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HSP90AA1 393/4885RXFP1 1763/4885NPC1 978/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 HSP90AA1 2429/4885RXFP1 1173/4885NPC1 429/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR HSP90AA1 1077/4885RXFP1 226/4885NPC1 4521/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR HSP90AA1 1157/4885RXFP1 236/4885NPC1 4551/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB HSP90AA1 421/4885RXFP1 2470/4885NPC1 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.