SCHEMBL17844771

SCHEMBL17844771

O=[N+]([O-])C(c1ccccc1)C(O)CCCOC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4C Q9H3R0 1/20 0.38
SLC6A3 Q01959 2/20 0.36
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
TGFBR1 P36897 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
EP300 Q09472 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL17846111 0.79 MEN1 (0.48) MEN1KMT2AKDM4CSLC6A3TDP1
SCHEMBL13692701 0.78 MEN1 (0.43) MEN1KMT2AKDM4CL3MBTL1RAB9A
SCHEMBL10394025 0.76 MEN1 (0.39) MEN1KMT2AKDM4CSLC6A3TDP1
SCHEMBL17846027 0.75 MEN1 (0.42) MEN1KMT2AKDM4CL3MBTL1HPGD
SCHEMBL9860360 0.75 MEN1 (0.54) MEN1KMT2AKDM4CSLC6A3TDP1
SCHEMBL21886902 0.74 SLC6A3 (0.53) MEN1KMT2AKDM4CSLC6A3TDP1
SCHEMBL22504269 0.73 KMT2A (0.52) MEN1KMT2AKDM4CSLC6A3TDP1
SCHEMBL21886901 0.73 MEN1 (0.49) MEN1KMT2AKDM4CSLC6A3TDP1
SCHEMBL9705177 0.72 MEN1 (0.54) MEN1KMT2AKDM4CSLC6A3L3MBTL1
SCHEMBL11803199 0.71 MEN1 (0.44) MEN1KMT2AKDM4CL3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233859-B1 BRIDGED PYRAZOLOPYRIDINE DERIVATIVES AS ERK INHIBITORS USEFUL FOR THE TREATEMENT OF CANCER MERCK SHARP & DOHME (US) 2019-08-07 EP disclosed
US-9988397-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-05 US disclosed
EP-3233859-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
US-20170267695-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
WO-2016095088-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016100051-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 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-20170267695-A1 ERK INHIBITORS MAPK1, MAP3K1, MAPK4 MEN1 1248/4885KMT2A 1567/4885KDM4C 2181/4885

“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.