SCHEMBL2432357

SCHEMBL2432357

CC(=O)OCc1ccc(-c2cnco2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 14/20 0.48
IMPDH1 P20839 5/20 0.44
CYP3A4 P08684 1/20 0.43
AAK1 Q2M2I8 5/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL2431842 0.78 IMPDH2 (0.47) IMPDH2IMPDH1AAK1HDAC3HDAC4
SCHEMBL2435029 0.77 IMPDH2 (0.45) IMPDH2IMPDH1AAK1HDAC3HDAC4
SCHEMBL14267723 0.75 IMPDH2 (0.53) IMPDH2IMPDH1AAK1
SCHEMBL10908075 0.70 CYP3A4 (0.51) CYP3A4HDAC3HDAC1HDAC2HDAC6
SCHEMBL4655268 0.70 CYP3A4 (0.55) CYP3A4ALDH1A1
SCHEMBL28701866 0.70 AOC3 (0.41) IMPDH2IMPDH1AAK1
SCHEMBL27799779 0.69 CYP3A4 (0.50) CYP3A4ALDH1A1
SCHEMBL5936414 0.68 CYP3A4 (0.55) CYP3A4ALDH1A1
SCHEMBL30702221 0.68 NOTUM (0.53) IMPDH2IMPDH1CYP3A4AAK1
SCHEMBL6169923 0.68 IMPDH2 (0.60) IMPDH2IMPDH1AAK1

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
EP-1956013-B1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO LTD (JP) 2016-04-13 EP disclosed
US-8022075-B2 Diagnostic and remedy for disease caused by amyloid aggregation and/or deposition FUJIFILM RI PHARMA CO., LTD. (JP) 2011-09-20 US disclosed
US-20090162283-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO., LTD. (JP) 2009-06-25 US disclosed
EP-1956013-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION Fujifilm RI Pharma Co., Ltd. (JP) 2008-08-13 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 (1 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-20090162283-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION APP, TTR, BACE1 IMPDH2 4646/4885IMPDH1 4502/4885CYP3A4 1480/4885

“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.