SCHEMBL330267

SCHEMBL330267

CCOC(=O)c1sc(NC(=O)c2cc(Br)ccc2O)nc1-c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 8/20 0.45
RAB9A P51151 7/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 5/20 0.45
NPSR1 Q6W5P4 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
MAPT P10636 2/20 0.44
DHODH Q02127 2/20 0.44

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
SCHEMBL329799 0.86 MEN1 (0.64) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL330526 0.85 TMPRSS4 (0.42) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5063888 0.84 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL29403662 0.83 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL330104 0.83 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL329927 0.82 DHODH (0.54) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL5495441 0.81 MAPT (0.40) SMN1; SMN2KMT2AKDM4EALDH1A1HPGD
SCHEMBL331811 0.79 MAPT (0.38) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL331528 0.76 MAPT (0.39) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL330272 0.76 KMT2A (0.61) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9

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 SMN1; SMN2 4106/4885MEN1 4484/4885KMT2A 3909/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 SMN1; SMN2 4693/4885MEN1 2257/4885KMT2A 302/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 SMN1; SMN2 4853/4885MEN1 3560/4885KMT2A 1205/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT SMN1; SMN2 4704/4885MEN1 2381/4885KMT2A 283/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A SMN1; SMN2 4852/4885MEN1 4495/4885KMT2A 4486/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A SMN1; SMN2 4859/4885MEN1 4504/4885KMT2A 4531/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A SMN1; SMN2 4859/4885MEN1 4504/4885KMT2A 4531/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA SMN1; SMN2 975/4885MEN1 4288/4885KMT2A 1392/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A SMN1; SMN2 4859/4885MEN1 4504/4885KMT2A 4531/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 SMN1; SMN2 4879/4885MEN1 4737/4885KMT2A 2393/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR SMN1; SMN2 4695/4885MEN1 2142/4885KMT2A 199/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR SMN1; SMN2 4709/4885MEN1 2098/4885KMT2A 210/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB SMN1; SMN2 4820/4885MEN1 4661/4885KMT2A 4095/4885

“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.