SCHEMBL1483710

SCHEMBL1483710

CC(Cl)C(=O)Nc1ccc(C(=N)NO)nc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.52
HDAC1 Q13547 12/20 0.52
HDAC8 Q9BY41 8/20 0.52
HDAC4 P56524 6/20 0.52
HDAC6 Q9UBN7 6/20 0.52
HDAC2 Q92769 4/20 0.40
NCOR2 Q9Y618 4/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
RAB9A P51151 2/20 0.40
JAK3 P52333 1/20 0.39
P4HTM Q9NXG6 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1483185 0.89 HDAC3 (0.48) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1483637 0.75 HDAC1 (0.50) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL6450357 0.74 NAMPT (0.46) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL3683038 0.73 MAPT (0.53) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL12545781 0.72 ALDH1A1 (0.48) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1483582 0.72 HDAC1 (0.49) HDAC1NPC1ALDH1A1TP53RAB9A
SCHEMBL30736094 0.72 GRM5 (0.50) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1483919 0.71 AR (0.53) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL11744810 0.67 MEN1 (0.60) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL4586297 0.67 MAOB (0.45) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314103-B2 Pyridyl derivatives, their preparation and use Piramal Enterprises Limited (IN) 2012-11-20 US claimed
US-20110077252-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE Piramal Enterprises Limited (IN) 2011-03-31 US claimed
US-8314103-B2 Pyridyl derivatives, their preparation and use Piramal Enterprises Limited (IN) 2012-11-20 US disclosed
US-20110077252-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE Piramal Enterprises Limited (IN) 2011-03-31 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-20110077252-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE HIF1AN, HIF1A, MTOR HDAC3 904/4885HDAC1 761/4885HDAC8 1147/4885

“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.