SCHEMBL1320296

SCHEMBL1320296

N#Cc1ccc(CNC(=O)c2cccc3cc(N)ccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
KLKB1 P03952 2/20 0.48
KLK1 P06870 2/20 0.48
NSD2 O96028 2/20 0.47
EPHX2 P34913 1/20 0.44
AKR1B1 P15121 1/20 0.44
POLA1 P09884 1/20 0.44
CNR2 P34972 1/20 0.43
ROCK2 O75116 1/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL4244543 0.87 NSD2 (0.56) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8525436 0.86 HDAC2 (0.50) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1110239 0.85 NSD2 (0.64) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8494353 0.85 HDAC2 (0.55) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8525574 0.82 AKR1B1 (0.48) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8525059 0.81 HDAC2 (0.46) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8524189 0.81 AKR1B1 (0.48) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL12119308 0.79 HDAC2 (0.47) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1110390 0.76 HDAC2 (0.45) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1110102 0.76 TUBB (0.46) HDAC2HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 HDAC2 3017/4885HDAC3 3335/4885HDAC4 3078/4885

“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.