SCHEMBL1079759

SCHEMBL1079759

O=Cc1cc(C(=O)COCCN2CCOCC2)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
HTT P42858 1/20 0.43
GAA P10253 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL1079394 0.81 ALDH1A1 (0.52) POLBHTTGAAKMT2AKDM4E
SCHEMBL1873403 0.75 ALDH1A1 (0.67) POLBGAASMN1; SMN2ATMKMT2A
SCHEMBL1080862 0.71 MEN1 (0.36) POLBSMN1; SMN2ATMKMT2ACYP1A2
SCHEMBL260463 0.71 SIGMAR1 (0.47) POLBKMT2A
SCHEMBL8267288 0.68 GLA (0.56) POLBATMKMT2AKDM4EL3MBTL1
SCHEMBL259925 0.67 HRH3 (0.45) HTTSMN1; SMN2KDM4EHRH3ALDH1A1
Hydrochloric Acid SCHEMBL9794692 0.66 GLA (0.59) POLBATMKMT2AKDM4EL3MBTL1
SCHEMBL4710666 0.66 KDM4E (0.53) POLBGAASMN1; SMN2ATMCYP1A2
SCHEMBL17819647 0.66 KDM4E (0.46) POLBGAASMN1; SMN2KMT2AKDM4E
SCHEMBL6137063 0.65 HPGD (0.50) POLBSMN1; SMN2KMT2ACYP1A2CYP2C19

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
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
EP-2273882-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES Poniard Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 WO disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 POLB 1828/4885HTT 56/4885GAA 20/4885

“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.