SCHEMBL3284515

SCHEMBL3284515

Nc1cc(F)ccc1-n1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.53
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP17A1 P05093 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL13242920 0.86 IDO1 (0.66) IDO1LMNAMAPTALDH1A1GAA
SCHEMBL6342110 0.82 CYP3A4 (0.45) IDO1LMNAMAPTALDH1A1GAA
SCHEMBL997561 0.79 IDO1 (0.53) IDO1LMNAMAPTALDH1A1GAA
SCHEMBL29758190 0.79 IDO1 (0.76) IDO1LMNAMAPTALDH1A1GAA
SCHEMBL7402126 0.79 IDO1 (0.49) IDO1LMNAMAPTALDH1A1GAA
SCHEMBL23486498 0.79 IDO1 (0.76) IDO1LMNAMAPTALDH1A1GAA
SCHEMBL13997437 0.79 CYP3A4 (0.44) IDO1LMNAMAPTALDH1A1GAA
SCHEMBL1239654 0.79 IDO1 (0.53) IDO1LMNAMAPTALDH1A1GAA
SCHEMBL14067619 0.79 ENPP2 (0.53) IDO1LMNAMAPTALDH1A1GAA
SCHEMBL2935531 0.79 ALDH1A1 (0.66) IDO1LMNAMAPTALDH1A1CYP3A4

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-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES 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 IDO1 412/4885LMNA 2736/4885MAPT 2937/4885
US-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA IDO1 3169/4885LMNA 953/4885MAPT 2581/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 IDO1 2117/4885LMNA 1010/4885MAPT 3517/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 IDO1 91/4885LMNA 1236/4885MAPT 2536/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 IDO1 2806/4885LMNA 1058/4885MAPT 2893/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT IDO1 84/4885LMNA 1278/4885MAPT 2797/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA IDO1 3097/4885LMNA 670/4885MAPT 1/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 IDO1 715/4885LMNA 1264/4885MAPT 3490/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR IDO1 72/4885LMNA 1400/4885MAPT 2469/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR IDO1 80/4885LMNA 1423/4885MAPT 2415/4885
US-20060089395-A1 Nf-kb activation inhibitors NFKBIA, IKBKB, NFRKB IDO1 2477/4885LMNA 524/4885MAPT 2600/4885
US-20060035944-A1 Remedies for neurodegenerative diseases GLA, CHAT, MAPT IDO1 2853/4885LMNA 480/4885MAPT 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.