SCHEMBL330674

SCHEMBL330674

CC(=O)c1sc(NC(=O)c2cc(Br)ccc2O)nc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.64
NPC1 O15118 4/20 0.64
ALDH1A1 P00352 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
RXFP1 Q9HBX9 3/20 0.64
KMT2A Q03164 6/20 0.64
NPSR1 Q6W5P4 2/20 0.60
LMNA P02545 1/20 0.60
KDM4E B2RXH2 1/20 0.58
HPGD P15428 1/20 0.57
ADORA3 P0DMS8 2/20 0.50
MEN1 O00255 4/20 0.48
ADORA1 P30542 2/20 0.47
ADORA2A P29274 1/20 0.47
RORC P51449 1/20 0.47

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
SCHEMBL3278037 0.91 ADORA3 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL330302 0.88 ADORA3 (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL330992 0.88 XIAP (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL330259 0.87 KMT2A (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL329799 0.86 MEN1 (0.64) ALDH1A1SMN1; SMN2RXFP1KMT2ANPSR1
SCHEMBL330636 0.82 PTGDR2 (0.56) ALDH1A1SMN1; SMN2RXFP1KMT2ALMNA
SCHEMBL330141 0.81 ALDH1A1 (0.50) RAB9AALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL3276817 0.81 RAB9A (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL3276819 0.80 PTGDR2 (0.48) ALDH1A1SMN1; SMN2RXFP1KMT2ANPSR1
SCHEMBL330837 0.77 XIAP (0.43) RAB9ANPC1RXFP1KMT2AMEN1

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 RAB9A 3691/4885NPC1 911/4885ALDH1A1 2096/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 RAB9A 2827/4885NPC1 4422/4885ALDH1A1 364/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 RAB9A 4418/4885NPC1 1218/4885ALDH1A1 97/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT RAB9A 2536/4885NPC1 4407/4885ALDH1A1 296/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A RAB9A 997/4885NPC1 896/4885ALDH1A1 479/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A RAB9A 1124/4885NPC1 978/4885ALDH1A1 563/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A RAB9A 1124/4885NPC1 978/4885ALDH1A1 563/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA RAB9A 3333/4885NPC1 313/4885ALDH1A1 425/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A RAB9A 1124/4885NPC1 978/4885ALDH1A1 563/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 RAB9A 2290/4885NPC1 429/4885ALDH1A1 1959/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR RAB9A 2704/4885NPC1 4521/4885ALDH1A1 340/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR RAB9A 2770/4885NPC1 4551/4885ALDH1A1 362/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB RAB9A 1966/4885NPC1 1519/4885ALDH1A1 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.