SCHEMBL8964314

SCHEMBL8964314

CN(Cc1ccccc1)C(=O)c1ccc(C(=O)c2cccnc2N)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC1 Q13547 2/20 0.54
HSD17B2 P37059 5/20 0.49
HSD17B1 P14061 2/20 0.47
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43

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
SCHEMBL8963880 0.87 HDAC4 (0.59) HDAC3HDAC4HDAC6HDAC1HSD17B2
SCHEMBL8963632 0.86 TP53 (0.45) HDAC3HDAC4HDAC6HDAC1KMT2A
SCHEMBL9007586 0.75 HDAC3 (0.54) HDAC3HDAC4HDAC6HDAC1KMT2A
SCHEMBL12495959 0.73 HDAC4 (0.64) HDAC3HDAC4HDAC6HDAC1HSD17B2
SCHEMBL8963872 0.73 NAPRT (0.47) HDAC3HDAC4HDAC6HDAC1HPGD
SCHEMBL8179072 0.72 PRKCI (0.68) HDAC3HDAC4HDAC6HDAC1KMT2A
SCHEMBL8963960 0.72 HDAC4 (0.57) HDAC3HDAC4HDAC6HDAC1HSD17B2
SCHEMBL2205037 0.70 HDAC6 (1.00) HDAC3HDAC4HDAC6HDAC1HSD17B2
SCHEMBL4918174 0.70 HSD17B2 (0.70) HDAC3HDAC4HDAC6HDAC1HSD17B2
SCHEMBL15490565 0.70 HSD17B2 (0.82) HDAC3HDAC4HDAC6HDAC1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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 (3 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HDAC3 1492/4885HDAC4 1811/4885HDAC6 870/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HDAC3 1492/4885HDAC4 1811/4885HDAC6 870/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HDAC3 1492/4885HDAC4 1811/4885HDAC6 870/4885

“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.