SCHEMBL3692154

SCHEMBL3692154

COC(=O)CCc1cc(Br)c(N)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ MAPT P10636 4/20 0.39
▸ CTSB P07858 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ TXNRD1 Q16881 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ G6PD P11413 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL925918 0.86 KMT2A (0.39) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL11135335 0.85 KDM4E (0.41) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL3689373 0.85 KMT2A (0.45) ALDH1A1CYP3A4KMT2AMEN1PKM
SCHEMBL13508927 0.83 KMT2A (0.39) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL4850663 0.80 LMNA (0.47) ALDH1A1CYP3A4KMT2AMEN1PKM
SCHEMBL3910714 0.79 KMT2A (0.46) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL3909957 0.79 KMT2A (0.46) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL3688206 0.76 THRA (0.57) ALDH1A1KMT2AMEN1PKMLMNA
SCHEMBL18301354 0.76 ALDH1A1 (0.51) ALDH1A1CYP3A4PKMMAPTCTSB
SCHEMBL5416433 0.75 POLB (0.50) ALDH1A1KMT2AMAPTHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 — — US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 — — 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
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 — — US disclosed
CN-101031539-A Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORP (JP) 2007-09-05 — — CN 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 (3 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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885CYP3A4 838/4885KMT2A 1597/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885CYP3A4 838/4885KMT2A 1597/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885CYP3A4 838/4885KMT2A 1597/4885

“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.

Send feedback