SCHEMBL1483582

SCHEMBL1483582

CC(Cl)C(=O)Nc1ccc(C(=N)NO)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HCAR3 P49019 6/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
DEGS1 O15121 1/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
FFAR2 O15552 1/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C19 P33261 1/20 0.38
PTK2 Q05397 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
SCHEMBL4409319 0.81 PTK2 (0.54) HDAC1HCAR3L3MBTL1RAB9ATP53
SCHEMBL14973431 0.79 HCAR3 (0.47) HDAC1HCAR3DEGS1RAB9ATP53
SCHEMBL2323680 0.78 RAB9A (0.52) MAPK1LMNARAB9ATP53NPC1
SCHEMBL1484379 0.77 TDP1 (0.42) HDAC1HCAR3MAPK1L3MBTL1ALDH1A1
SCHEMBL28810935 0.75 GCK (0.40) HDAC1HCAR3RAB9ATP53TSHR
SCHEMBL29854816 0.75 GCK (0.40) HDAC1HCAR3RAB9ATP53TSHR
SCHEMBL6515262 0.74 HCAR3 (0.70) HCAR3ALDH1A1DEGS1RAB9ANPC1
SCHEMBL2543082 0.74 GRIN2B (0.45) HDAC1HCAR3ALDH1A1LMNADEGS1
SCHEMBL1725523 0.74 HCAR3 (0.58) HDAC1HCAR3HCAR2NNMT
SCHEMBL1483710 0.72 HDAC3 (0.52) HDAC1ALDH1A1RAB9ATP53NPC1

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 5 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
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 HDAC1 761/4885HCAR3 1006/4885MAPK1 79/4885

“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.