SCHEMBL4317705

SCHEMBL4317705

C[C@H](CCN1CCC1=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SLC6A2 P23975 1/20 0.39
CACNA2D1 P54289 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
SCHEMBL4314794 1.00 PKM (0.44) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL7083850 0.76 PKM (0.39) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL26118448 0.74 CASP3 (0.51) RAB9AALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL30630076 0.74 CASP3 (0.51) RAB9AALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL14461626 0.74 POLB (0.42) PKMALDH1A1POLB
SCHEMBL11513541 0.72 NPC1 (0.58) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL8767658 0.71 NPC1 (0.44) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL4036783 0.70 PKM (0.57) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL8766491 0.70 KDM4E (0.41) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL10245222 0.70 TSHR (0.43) MEN1KMT2APOLBMAPT

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-20090131707-A1 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2009-05-21 US disclosed
US-7452999-B2 Chemical process for the preparation of intermediates to obtain N-formyl hydroxy-lamine compounds NOVARTIS AG (CH) 2008-11-18 US disclosed
US-20070179298-A1 Chemical process for the preparation of intermediates to obtain n-formyl hydroxy-lamine compounds NOVARTIS AG (CH) 2007-08-02 US disclosed
EP-1599440-A2 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS Novartis AG (CH) 2005-11-30 EP disclosed
WO-2004076053-A2 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2004-09-10 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 (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-20090131707-A1 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS HAO2, HAO1, HAAO PKM 1599/4885NPC1 4335/4885RAB9A 4399/4885
US-20070179298-A1 Chemical process for the preparation of intermediates to obtain n-formyl hydroxy-lamine compounds HAO1, LMNA, HAO2 PKM 1083/4885NPC1 3232/4885RAB9A 3646/4885

“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.