SCHEMBL4684902

SCHEMBL4684902

CC(=O)n1cc2c(Br)cccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.44
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
ALPL P05186 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CDK9 P50750 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
PDGFRA P16234 1/20 0.32
CDK5 Q00535 1/20 0.32
TYRO3 Q06418 1/20 0.32
PRNP P04156 1/20 0.32

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
SCHEMBL14102221 0.81 CYP1A2 (0.35) ALDH1A1ADORA3ADORA2ASMN1; SMN2NPC1
SCHEMBL476881 0.80 NOTUM (0.45) ALDH1A1ADORA3ADORA2ASMN1; SMN2NPC1
SCHEMBL17631624 0.79 HDAC8 (0.39) HDAC8BACE1ALDH1A1ADORA3ADORA2A
SCHEMBL544118 0.77 BACE1 (0.40) HDAC8BACE1ALDH1A1ATMALPL
SCHEMBL21612923 0.76 HDAC8 (0.41) HDAC8BACE1ALDH1A1ATMADORA3
SCHEMBL6337523 0.72 HDAC8 (0.39) HDAC8ALDH1A1ADORA3ADORA2ASMN1; SMN2
SCHEMBL23320994 0.71 HDAC8 (0.48) HDAC8BACE1
SCHEMBL31439998 0.70 HDAC8 (0.44) HDAC8ALDH1A1SMN1; SMN2NPC1
SCHEMBL29303418 0.69 TSHR (0.43) HDAC8BACE1ALDH1A1ADORA3ADORA2A
SCHEMBL29303419 0.69 HDAC8 (0.49) HDAC8BACE1ALDH1A1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753763-B1 INDAZOLE AND INDOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PFIZER LTD (GB) 2008-08-13 EP disclosed
CN-1968952-A New indazole and indolone derivatives and their use pharmaceuticals PFIZER (US) 2007-05-23 CN disclosed
EP-1753763-A2 INDAZOLE AND INDOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Pfizer Limited (GB) 2007-02-21 EP disclosed
WO-2005116027-A2 INDAZOLE AND INDOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PFIZER LIMTED (GB) 2005-12-08 WO disclosed
US-20050267096-A1 New indazole and indolone derivatives and their use pharmaceuticals PFIZER INC 2005-12-01 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 (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-20050267096-A1 New indazole and indolone derivatives and their use pharmaceuticals DRD2, DRD3, DRD1 HDAC8 4076/4885BACE1 2234/4885ALDH1A1 708/4885

“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.