SCHEMBL5237448

SCHEMBL5237448

O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
ALDH1A1 P00352 5/20 0.81
KMT2A Q03164 3/20 0.81
POLB P06746 1/20 0.77
MAPT P10636 3/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
HDAC8 Q9BY41 4/20 0.72
HDAC3 O15379 3/20 0.72
HDAC4 P56524 3/20 0.72
HDAC1 Q13547 3/20 0.72
HDAC7 Q8WUI4 3/20 0.72
HDAC2 Q92769 3/20 0.72
HDAC10 Q969S8 3/20 0.72
HDAC11 Q96DB2 3/20 0.72
HDAC6 Q9UBN7 3/20 0.72
HDAC9 Q9UKV0 3/20 0.72
HDAC5 Q9UQL6 3/20 0.72
MAPK1 P28482 1/20 0.65
UBE2N P61088 1/20 0.65

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
SCHEMBL11624141 0.91 KMT2A (0.83) HPGDSMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL14198603 0.88 KMT2A (0.79) HPGDSMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL11624860 0.86 POLB (0.77) HPGDSMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL11621200 0.86 KMT2A (0.76) HPGDSMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL11626214 0.85 HPGD (0.73) HPGDSMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL11620455 0.84 HPGD (0.73) HPGDSMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL22743019 0.84 POLB (0.74) HPGDSMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL21731488 0.84 HPGD (0.72) HPGDSMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL14862921 0.84 HDAC8 (1.00) HPGDSMN1; SMN2ALDH1A1KMT2AHDAC8
SCHEMBL30304758 0.84 HDAC8 (1.00) HPGDSMN1; SMN2ALDH1A1KMT2AHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794117-A2 MERCAPTOAMIDES AS HISTONE DEACETYLASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-06-13 EP disclosed
WO-2006028972-A2 MERCAPTOAMIDES AS HISTONE DEACETYLASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-03-16 WO disclosed
US-20060047123-A1 Mercaptoamides as histone deacetylase inhibitors AHMED SALEH 2006-03-02 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-20060047123-A1 Mercaptoamides as histone deacetylase inhibitors HDAC1, HDAC11, HDAC2 HPGD 280/4885SMN1; SMN2 2922/4885ALDH1A1 95/4885

“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.