Sugi Predict

Sugi Predict / Compounds / SCHEMBL3482790

SCHEMBL3482790

SCHEMBL3482790

C[N]Cc1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.56
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ HTT P42858 3/20 0.44
▸ PYCR1 P32322 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GGPS1 O95749 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP2A13 Q16696 1/20 0.42

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
SCHEMBL3483103 0.82 TP53 (0.44) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL15999402 0.80 IDO1 (0.54) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL11957893 0.80 IDO1 (0.54) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL155790 0.76 IDO1 (0.60) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL11621292 0.75 IDO1 (0.65) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL2097653 0.75 IDO1 (0.65) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL3365419 0.75 IDO1 (0.48) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL31095434 0.75 IDO1 (0.48) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL30438794 0.75 IDO1 (0.48) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL785031 0.75 IDO1 (0.48) IDO1CYP1A2CYP3A4CYP2C9MAPK1

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
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
CN-103211811-B Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2015-06-10 — — CN disclosed
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 — — US disclosed
CN-103211811-A Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2013-07-24 — — CN disclosed
CN-101932317-B Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2013-03-27 — — CN 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 481/4885CYP1A2 612/4885CYP3A4 1212/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 IDO1 669/4885CYP1A2 486/4885CYP3A4 838/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 IDO1 669/4885CYP1A2 486/4885CYP3A4 838/4885
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 IDO1 4153/4885CYP1A2 1371/4885CYP3A4 769/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 IDO1 669/4885CYP1A2 486/4885CYP3A4 838/4885

“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.