SCHEMBL3483437

SCHEMBL3483437

C[N]Cc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.39
RIPK1 Q13546 2/20 0.38
ALDH1A1 P00352 2/20 0.38
DAO P14920 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
GAA P10253 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL3482757 0.83 PSEN1 (0.43) IDO1AGXTRIPK1ALDH1A1HTR2A
SCHEMBL20459743 0.78 IDO1 (0.48) IDO1AGXTKDM4ESMN1; SMN2MAOB
SCHEMBL14613820 0.78 IDO1 (0.48) IDO1AGXTKDM4ESMN1; SMN2MAOB
SCHEMBL15978572 0.75 IDO1 (0.50) IDO1AGXTKDM4ESMN1; SMN2MAOB
SCHEMBL469184 0.75 IDO1 (0.54) IDO1AGXTKDM4ESMN1; SMN2MAOB
SCHEMBL1503215 0.75 IDO1 (0.54) IDO1AGXTKDM4ESMN1; SMN2MAOB
SCHEMBL7700904 0.74 IDO1 (0.58) IDO1AGXTKDM4ESMN1; SMN2MAOB
SCHEMBL3298107 0.74 IDO1 (0.58) IDO1AGXTKDM4ESMN1; SMN2MAOB
SCHEMBL1647830 0.74 IDO1 (0.44) IDO1AGXTKDM4ESMN1; SMN2MAOB
SCHEMBL16293889 0.74 IDO1 (0.44) IDO1AGXTKDM4ESMN1; SMN2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 US disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO 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 (5 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R IDO1 481/4885AGXT 698/4885KDM4E 2981/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 IDO1 669/4885AGXT 144/4885KDM4E 1472/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 IDO1 669/4885AGXT 144/4885KDM4E 1472/4885
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 IDO1 4153/4885AGXT 1132/4885KDM4E 3917/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 IDO1 669/4885AGXT 144/4885KDM4E 1472/4885

“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.