SCHEMBL1483206

SCHEMBL1483206

CC(=O)OCC(=O)Nc1ccc(C(=N)N)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.47
PKM P14618 1/20 0.47
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
CDK8 P49336 1/20 0.42
NOTUM Q6P988 1/20 0.41
NAMPT P43490 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL29435717 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL17984640 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1484002 0.79 KDM4E (0.55) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL22583076 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL31680447 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
Acetic Acid SCHEMBL1483203 0.77 P4HTM (0.44) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL12545781 0.73 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL10238819 0.72 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL13841454 0.70 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL14075485 0.70 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A

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 ALDH1A1 2458/4885SMN1; SMN2 3664/4885MAPT 3981/4885

“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.