SCHEMBL3281972

SCHEMBL3281972

Nc1cc(C(F)(F)F)ccc1Oc1ccc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.64
RAB9A P51151 1/20 0.64
MAPT P10636 5/20 0.63
NPSR1 Q6W5P4 1/20 0.63
LMNA P02545 2/20 0.61
HTT P42858 1/20 0.61
GAA P10253 2/20 0.61
RCE1 Q9Y256 1/20 0.61
ATM Q13315 1/20 0.59
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GFER P55789 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 2/20 0.41
PKM P14618 1/20 0.41
THRB P10828 1/20 0.39

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
SCHEMBL11385841 0.84 L3MBTL1 (0.71) L3MBTL1RAB9AMAPTNPSR1LMNA
SCHEMBL31090839 0.84 L3MBTL1 (0.81) L3MBTL1RAB9AMAPTNPSR1LMNA
SCHEMBL14681242 0.84 L3MBTL1 (0.81) L3MBTL1RAB9AMAPTNPSR1LMNA
SCHEMBL890750 0.84 L3MBTL1 (0.56) L3MBTL1RAB9AMAPTNPSR1LMNA
SCHEMBL13997359 0.83 L3MBTL1 (0.47) L3MBTL1RAB9AMAPTNPSR1LMNA
SCHEMBL3965371 0.83 L3MBTL1 (0.78) L3MBTL1RAB9AMAPTNPSR1LMNA
SCHEMBL29766701 0.81 L3MBTL1 (0.77) L3MBTL1RAB9AMAPTNPSR1LMNA
SCHEMBL8935331 0.80 L3MBTL1 (0.69) L3MBTL1RAB9AMAPTNPSR1LMNA
SCHEMBL1338894 0.80 GAA (0.72) L3MBTL1MAPTNPSR1LMNAHTT
SCHEMBL10359773 0.79 GAA (0.71) L3MBTL1MAPTLMNAHTTGAA

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-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER 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 L3MBTL1 3358/4885RAB9A 2016/4885MAPT 2937/4885
US-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA L3MBTL1 2423/4885RAB9A 3691/4885MAPT 2581/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 L3MBTL1 4381/4885RAB9A 4220/4885MAPT 3517/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 L3MBTL1 4039/4885RAB9A 2827/4885MAPT 2536/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 L3MBTL1 3042/4885RAB9A 4418/4885MAPT 2893/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT L3MBTL1 3949/4885RAB9A 2536/4885MAPT 2797/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA L3MBTL1 3289/4885RAB9A 3333/4885MAPT 1/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 L3MBTL1 3742/4885RAB9A 2290/4885MAPT 3490/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR L3MBTL1 3903/4885RAB9A 2704/4885MAPT 2469/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR L3MBTL1 3917/4885RAB9A 2770/4885MAPT 2415/4885
US-20060089395-A1 Nf-kb activation inhibitors NFKBIA, IKBKB, NFRKB L3MBTL1 3438/4885RAB9A 2750/4885MAPT 2600/4885
US-20060035944-A1 Remedies for neurodegenerative diseases GLA, CHAT, MAPT L3MBTL1 2757/4885RAB9A 2856/4885MAPT 3/4885

“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.