SCHEMBL3277680

SCHEMBL3277680

Nc1nc(-c2c(F)c(F)c(F)c(F)c2F)cs1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.70
ALDH1A1 P00352 5/20 0.53
RAB9A P51151 3/20 0.53
ALOX5 P09917 1/20 0.53
MPL P40238 6/20 0.50
MAPT P10636 5/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 2/20 0.44
GFER P55789 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 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
SCHEMBL3140074 0.83 HSD17B10 (1.00) HSD17B10ALDH1A1RAB9AALOX5MPL
SCHEMBL3148249 0.82 ALDH1A1 (0.62) HSD17B10ALDH1A1RAB9AALOX5MPL
SCHEMBL1800641 0.79 MPL (0.53) HSD17B10ALDH1A1RAB9AALOX5MPL
SCHEMBL10719025 0.77 ALDH1A1 (0.61) HSD17B10ALDH1A1RAB9AALOX5MPL
SCHEMBL1800719 0.77 MPL (0.65) HSD17B10ALDH1A1RAB9AALOX5MPL
SCHEMBL2381342 0.77 ALDH1A1 (0.53) HSD17B10ALDH1A1RAB9AALOX5MPL
SCHEMBL13997564 0.76 HSD17B10 (0.49) HSD17B10ALDH1A1RAB9AMAPTKDM4E
SCHEMBL474388 0.72 ALDH1A1 (0.58) HSD17B10ALDH1A1RAB9AALOX5MPL
SCHEMBL1801664 0.72 MPL (0.60) HSD17B10ALDH1A1RAB9AALOX5MPL
SCHEMBL1803364 0.72 MPL (0.60) HSD17B10ALDH1A1RAB9AALOX5MPL

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 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
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-20060111409-A1 Medicament for treatment of diabetes INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-25 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-20060089395-A1 Nf-kb activation inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-04-27 US disclosed
US-20060035944-A1 Remedies for neurodegenerative diseases INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-02-16 US disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 US disclosed
EP-1555018-A1 REMEDIES FOR NEURODEGENERATIVE DISEASES Institute of Medicinal Molecular Design, Inc. (JP) 2005-07-20 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 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 (12 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-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 HSD17B10 3198/4885ALDH1A1 3396/4885RAB9A 2016/4885
US-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA HSD17B10 2440/4885ALDH1A1 2096/4885RAB9A 3691/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 HSD17B10 732/4885ALDH1A1 469/4885RAB9A 4220/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 HSD17B10 761/4885ALDH1A1 364/4885RAB9A 2827/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 HSD17B10 1334/4885ALDH1A1 97/4885RAB9A 4418/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT HSD17B10 636/4885ALDH1A1 296/4885RAB9A 2536/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA HSD17B10 1152/4885ALDH1A1 425/4885RAB9A 3333/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 HSD17B10 2503/4885ALDH1A1 1959/4885RAB9A 2290/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR HSD17B10 855/4885ALDH1A1 340/4885RAB9A 2704/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR HSD17B10 790/4885ALDH1A1 362/4885RAB9A 2770/4885
US-20060089395-A1 Nf-kb activation inhibitors NFKBIA, IKBKB, NFRKB HSD17B10 1456/4885ALDH1A1 1242/4885RAB9A 2750/4885
US-20060035944-A1 Remedies for neurodegenerative diseases GLA, CHAT, MAPT HSD17B10 846/4885ALDH1A1 181/4885RAB9A 2856/4885

“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.