SCHEMBL5110153

SCHEMBL5110153

CC(C)=NOCc1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.41
PLK1 P53350 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TERT O14746 1/20 0.39

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
SCHEMBL5110217 0.86 ALDH1A1 (0.44) NPC1RAB9APOLBALDH1A1MEN1
SCHEMBL14207831 0.86 ALDH1A1 (0.44) NPC1RAB9APOLBALDH1A1MEN1
SCHEMBL7045810 0.84 ALDH1A1 (0.43) NPC1RAB9APOLBALDH1A1MEN1
SCHEMBL14207825 0.82 NPC1 (0.56) NPC1RAB9APOLBALDH1A1MEN1
SCHEMBL14207816 0.81 SMN1; SMN2 (0.39) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL21617021 0.80 POLB (0.43) NPC1RAB9APOLBALDH1A1MEN1
SCHEMBL25923625 0.77 L3MBTL1 (0.50) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL2134732 0.75 ALDH1A1 (0.57) NPC1RAB9APOLBALDH1A1MEN1
SCHEMBL1145938 0.74 ALDH1A1 (0.54) NPC1RAB9APOLBALDH1A1MEN1
SCHEMBL23355979 0.74 ALDH1A1 (0.42) NPC1RAB9APOLBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919627-B2 Synthesis of O-(6-pyrazol-1-yl-pyridin-3-ylmethyl)-hydroxylamine derivatives by protecting the hydroxyl group of (6-chloro-pyridin-3-yl)-methanol, reacting with pyrazole, and reacting with hydroxylamine or a derivative or an oxime ENANTA PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-7919627-B2 Synthesis of O-(6-pyrazol-1-yl-pyridin-3-ylmethyl)-hydroxylamine derivatives by protecting the hydroxyl group of (6-chloro-pyridin-3-yl)-methanol, reacting with pyrazole, and reacting with hydroxylamine or a derivative or an oxime ENANTA PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-7538225-B2 Processes for the preparation of o-(6-pyrazol-1-yl-pyridin-3-ylmethyl)-hydroxylamine ENANTA PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
US-7538225-B2 Processes for the preparation of o-(6-pyrazol-1-yl-pyridin-3-ylmethyl)-hydroxylamine ENANTA PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
US-20080242865-A1 PROCESSES FOR THE PREPARATION OF HYDROXYLAMINES TANG DATONG 2008-10-02 US disclosed
US-20080242865-A1 PROCESSES FOR THE PREPARATION OF HYDROXYLAMINES TANG DATONG 2008-10-02 US disclosed
US-20080086007-A1 2-(Pyrazole-1-Yl)Pyridine Derivative SHIONOGI & CO., LTD. (JP) 2008-04-10 US disclosed
US-20080086007-A1 2-(Pyrazole-1-Yl)Pyridine Derivative SHIONOGI & CO., LTD. (JP) 2008-04-10 US disclosed
US-20080086007-A1 2-(Pyrazole-1-Yl)Pyridine Derivative SHIONOGI & CO., LTD. (JP) 2008-04-10 US disclosed
EP-1829870-A1 2-(PYRAZOL-1-YL)PYRIDINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-09-05 EP disclosed
EP-1829870-A1 2-(PYRAZOL-1-YL)PYRIDINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-09-05 EP 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 (2 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-20080086007-A1 2-(Pyrazole-1-Yl)Pyridine Derivative MRPL21, CYP1A2, PDXK NPC1 4279/4885RAB9A 1444/4885POLB 2943/4885
US-20080242865-A1 PROCESSES FOR THE PREPARATION OF HYDROXYLAMINES CYP2B6, CYP2D6, CYP3A5 NPC1 2717/4885RAB9A 3524/4885POLB 1488/4885

“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.