SCHEMBL6478732

SCHEMBL6478732

O=C(NCCCc1cc(O)[nH]n1)c1cccc2[nH]c(-c3cc[nH]n3)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
DNM2 P50570 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ITK Q08881 3/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5756000 0.84 MEN1 (0.46) HDAC1HDAC2HDAC11HDAC3HDAC4
SCHEMBL6488444 0.83 HDAC1 (0.44) HDAC1HDAC2HDAC11HDAC3HDAC4
SCHEMBL5752805 0.83 TSHR (0.47) HDAC1HDAC2HDAC11HDAC3HDAC4
SCHEMBL5756543 0.81 HDAC11 (0.39) HDAC1HDAC2HDAC11ALDH1A1KDM4E
SCHEMBL6479357 0.81 KDM4E (0.49) HDAC1HDAC2HDAC11HDAC3HDAC4
SCHEMBL6487371 0.80 ITK (0.47) HDAC1HDAC2HDAC11HDAC3HDAC4
SCHEMBL6479843 0.80 ITK (0.39) HDAC1HDAC2HDAC11HDAC3HDAC4
SCHEMBL5757543 0.80 KDM4E (0.46) ALDH1A1KDM4EITKMAPTHPGD
SCHEMBL5820247 0.79 KDM4E (0.47) ALDH1A1KDM4ENPC1HPGDHTT
SCHEMBL5754686 0.79 KDR (0.43) HDAC11KDM4EITKABCG2MAPT

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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 HDAC1 876/4885HDAC2 796/4885HDAC11 1178/4885

“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.