SCHEMBL3876609

SCHEMBL3876609

Cc1c(O)nc(N2CCOCC2)nc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 4/20 0.49
HTT P42858 3/20 0.49
ALDH1A1 P00352 5/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 3/20 0.47
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PIK3CA P42336 2/20 0.44
PIK3R1 P27986 1/20 0.44
MTOR P42345 1/20 0.44
GLA P06280 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44

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
SCHEMBL2814349 0.80 KDM4E (0.49) KMT2AKDM4EHTTALDH1A1HPGD
SCHEMBL11851842 0.79 KMT2A (0.70) KMT2AHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL11603787 0.79 ALDH1A1 (0.49) KMT2AKDM4EHTTALDH1A1HPGD
SCHEMBL25268669 0.79 MAPK1 (0.50) KMT2AKDM4EHTTALDH1A1HPGD
SCHEMBL2815977 0.79 KMT2A (0.55) KMT2AKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL26337500 0.79 ALDH1A1 (0.59) KMT2AKDM4EHTTALDH1A1HPGD
SCHEMBL8973821 0.78 HTT (0.63) KMT2AKDM4EHTTALDH1A1HPGD
SCHEMBL12110268 0.77 KMT2A (0.56) KMT2AKDM4EHTTALDH1A1HPGD
SCHEMBL9619196 0.77 KDM4E (0.58) KMT2AKDM4EHTTALDH1A1HPGD
SCHEMBL28326273 0.77 KDM4E (0.53) KMT2AKDM4EHTTALDH1A1HPGD

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
EP-3204009-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2017-08-16 EP disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20060229308-A1 Substituted pyrirmidin-4-ylamine analogues as vanilloid receptor ligands NEUROGEN CORPORATION (US) 2006-10-12 US disclosed
EP-1651619-A1 SUBSTITUTED PYRIMIDIN-4-YLAMIN ANALOGUES AS VANILLOID RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2006-05-03 EP disclosed
EP-1651636-A1 SUBSTITUTED HETEROCYCLIC DIARYLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-05-03 EP disclosed
EP-1644358-A2 BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-12 EP disclosed
WO-2005009977-A1 SUBSTITUTED PYRIMIDIN-4-YLAMINA ANALOGUES AS VANILLOID RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-02-03 WO disclosed
WO-2005007648-A2 BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 WO disclosed
WO-2005007646-A1 SUBSTITUTED HETEROCYCLIC DIARYLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 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 (3 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 KMT2A 4081/4885KDM4E 3788/4885HTT 245/4885
US-20060229308-A1 Substituted pyrirmidin-4-ylamine analogues as vanilloid receptor ligands TRPV1, GPR17, TRPV2 KMT2A 3244/4885KDM4E 2765/4885HTT 2239/4885
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG KMT2A 3700/4885KDM4E 3890/4885HTT 3746/4885

“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.