SCHEMBL2431801

SCHEMBL2431801

CC(=O)c1ccc(-c2nc3ccc(Br)cc3o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.55
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HSD17B10 Q99714 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
ATM Q13315 1/20 0.54
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL2426284 0.89 HDAC6 (0.66) HDAC6NPC1RAB9AKDM4EALDH1A1
SCHEMBL23387567 0.83 NPC1 (0.59) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL22926168 0.83 MAOA (0.58) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL22926288 0.83 HDAC6 (0.64) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL28616672 0.82 TTR (0.67) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL30485193 0.82 TTR (0.67) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL2582987 0.81 ESR2 (0.76) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL2582851 0.81 NPC1 (0.63) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL15223700 0.81 RAB9A (0.66) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL2429895 0.80 RAB9A (0.56) HDAC6NPC1RAB9AMEN1KMT2A

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 HDAC6 1388/4885NPC1 533/4885RAB9A 3111/4885

“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.