SCHEMBL330537

SCHEMBL330537

CC(C)(C)c1csc(NC(=O)c2cc(Br)ccc2O)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.70
RAB9A P51151 9/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.55
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
TAS1R2 Q8TE23 1/20 0.55
KDM4E B2RXH2 5/20 0.55
HTT P42858 4/20 0.55
MAPK1 P28482 3/20 0.55
GAA P10253 3/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 5/20 0.54
LMNA P02545 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 3/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL332058 0.84 NPC1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Benzene SCHEMBL4261158 0.79 SORT1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20769658 0.79 RAB9A (0.60) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20787912 0.79 NPC1 (0.60) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20787908 0.78 NPC1 (0.64) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL331430 0.78 MAPT (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4757398 0.78 SORT1 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL330472 0.77 KMT2A (0.61) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL27582684 0.75 CSNK2A2 (0.56) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL330478 0.74 TMPRSS4 (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 NPC1 911/4885RAB9A 3691/4885MEN1 4484/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 NPC1 4422/4885RAB9A 2827/4885MEN1 2257/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 NPC1 1218/4885RAB9A 4418/4885MEN1 3560/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT NPC1 4407/4885RAB9A 2536/4885MEN1 2381/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NPC1 896/4885RAB9A 997/4885MEN1 4495/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NPC1 978/4885RAB9A 1124/4885MEN1 4504/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NPC1 978/4885RAB9A 1124/4885MEN1 4504/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA NPC1 313/4885RAB9A 3333/4885MEN1 4288/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NPC1 978/4885RAB9A 1124/4885MEN1 4504/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 NPC1 429/4885RAB9A 2290/4885MEN1 4737/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR NPC1 4521/4885RAB9A 2704/4885MEN1 2142/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR NPC1 4551/4885RAB9A 2770/4885MEN1 2098/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB NPC1 1519/4885RAB9A 1966/4885MEN1 4661/4885

“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.