SCHEMBL1483185

SCHEMBL1483185

N=C(NO)c1ccc(NC(=O)C(Cl)Cl)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.48
HDAC1 Q13547 11/20 0.48
HDAC8 Q9BY41 8/20 0.48
HDAC4 P56524 6/20 0.48
HDAC6 Q9UBN7 6/20 0.48
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P4HTM Q9NXG6 4/20 0.40
PDK1 Q15118 2/20 0.38
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
JAK3 P52333 1/20 0.37
NCOR2 Q9Y618 2/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL1483710 0.89 HDAC3 (0.52) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL1483637 0.77 HDAC1 (0.50) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL30736094 0.74 GRM5 (0.50) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL6450357 0.73 NAMPT (0.46) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL10483130 0.70 KMT2A (0.66) ALDH1A1MEN1MAPTHTTKMT2A
SCHEMBL1483214 0.70 KCNQ3 (0.52) ALDH1A1MEN1MAPTHPGDHTT
SCHEMBL12545781 0.69 ALDH1A1 (0.48) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL4731192 0.69 P4HTM (0.36) HDAC3HDAC1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL4586297 0.69 MAOB (0.45) SMN1; SMN2NPC1RAB9A
SCHEMBL22396435 0.68 P4HTM (0.63) ALDH1A1HPGDP4HTMNPC1RAB9A

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-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
WO-2009019656-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2009-02-12 WO 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.