SCHEMBL13508927

SCHEMBL13508927

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PKM P14618 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ TXNRD1 Q16881 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GSTP1 P09211 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
SCHEMBL925918 0.83 KMT2A (0.39) KMT2AMEN1HPGDPKMMAPT
SCHEMBL3692154 0.83 ALDH1A1 (0.45) KMT2AMEN1HPGDNPSR1PKM
SCHEMBL3689373 0.82 KMT2A (0.45) KMT2AMEN1HPGDPKMMAPT
SCHEMBL3688206 0.73 THRA (0.57) KMT2AMEN1HPGDPKMLMNA
SCHEMBL5416433 0.72 POLB (0.50) KMT2AHPGDNPSR1MAPTALDH1A1
SCHEMBL30201064 0.72 POLB (0.50) KMT2AHPGDNPSR1MAPTALDH1A1
SCHEMBL3130670 0.72 TRPV1 (0.44) KMT2AHPGDMAPTIDO1LMNA
SCHEMBL924062 0.72 THRA (0.39) KMT2AMEN1NPSR1PKMMAPT
SCHEMBL3910714 0.71 KMT2A (0.46) KMT2AMEN1HPGDNPSR1PKM
SCHEMBL3909957 0.71 KMT2A (0.46) KMT2AMEN1HPGDNPSR1PKM

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 4 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

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 KMT2A 1597/4885MEN1 4864/4885HPGD 105/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 KMT2A 1597/4885MEN1 4864/4885HPGD 105/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 KMT2A 1597/4885MEN1 4864/4885HPGD 105/4885

“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.

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