SCHEMBL4360690

SCHEMBL4360690

O=c1[nH]c2cccc3c2n(c1=O)CC3

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.43
DRD2 P14416 4/20 0.43
DRD3 P35462 3/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AHR P35869 1/20 0.37

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
SCHEMBL4850347 0.75 HTR1A (0.55) HTR1ADRD2DRD3CDK4CCND1
SCHEMBL8905704 0.74 GRIN2D (0.50)
SCHEMBL4573122 0.73 HTR1A (0.54) HTR1ADRD2DRD3CDK4CCND1
SCHEMBL9032650 0.73 EGLN1 (0.42) CDK4KMT2ATDP1KDM4EAHR
SCHEMBL7342846 0.71 HTR1A (0.76) HTR1ADRD2DRD3
SCHEMBL16372184 0.71 HTR1A (0.34) HTR1ADRD2DRD3KDM4E
SCHEMBL8905089 0.68 KDM4E (0.38) HTR1ADRD2DRD3KMT2AMEN1
SCHEMBL7344215 0.67 HTR1A (0.79) HTR1ADRD2DRD3
Hydrochloric Acid SCHEMBL8905146 0.67 KDM4E (0.37) HTR1ADRD2DRD3KMT2AMEN1
SCHEMBL10637456 0.67 HTR1A (0.45) HTR1ADRD2DRD3CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7862807-B2 Dendrimers as molecular translocators UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2011-01-04 US disclosed
US-20090311249-A1 Capecitabine Combination Therapy ARIAD PHARMACEUTICALS, INC. 2009-12-17 US disclosed
US-20080221020-A1 Dendrimers as Molecular Translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-11 US disclosed
EP-1545462-A4 DENDRIMERS AS MOLECULAR TRANSLOCATORS UNIV CALIFORNIA (US) 2007-08-08 EP disclosed
US-20060216265-A1 Dendrimers as molecular translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-09-28 US disclosed
EP-1545462-A2 DENDRIMERS AS MOLECULAR TRANSLOCATORS The Regents of the University of California (US) 2005-06-29 EP disclosed
US-6710086-B1 CHEMICALLY MODIFIED PHARMACOLOGICALLY ACTIVE AGENT IN CARRIER; REDUCE THE DAMAGE TO THE GASTROINTESTINAL TRACT MEDINOX, INC. 2004-03-23 US disclosed
WO-2004009666-A2 DENDRIMERS AS MOLECULAR TRANSLOCATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-01-29 WO disclosed
WO-2004009665-A2 DENDRIMERS AS MOLECULAR TRANSLOCATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-01-29 WO disclosed
US-20030087840-A1 Conjugates of dithiocarbamates with pharmacologically active agents and uses therefor MEDINOX, INC. 2003-05-08 US disclosed
WO-2001062085-A1 PROTECTED FORMS OF PHARMACOLOGICALLY ACTIVE AGENTS AND USES THEREFOR MEDINOX, INC. (US) 2001-08-30 WO disclosed
US-6274627-B1 ADMINISTERING COMPOUNDS SUCH AS N-METHYL-D-GLUCAMINE DITHIO-CARBAMATE DISULFIDE FOR IN VIVO REDUCTION OF FREE RADICAL LEVELS IN A SUBJECT MEDINOX, INC. 2001-08-14 US disclosed
EP-0866695-A4 COMBINATIONAL THERAPEUTIC METHODS EMPLOYING NITRIC OXIDE SCAVENGERS MEDINOX INC (US) 2001-05-09 EP disclosed
WO-1999040787-A1 MODIFIED PHARMACOLOGICALLY ACTIVE AGENTS AND IMPROVED THERAPEUTIC METHODS EMPLOYING SAME MEDINOX, INC. (US) 1999-08-19 WO disclosed
US-5916910-A Conjugates of dithiocarbamates with pharmacologically active agents and uses therefore MEDINOX, INC. (US) 1999-06-29 US disclosed
EP-0866695-A1 COMBINATIONAL THERAPEUTIC METHODS EMPLOYING NITRIC OXIDE SCAVENGERS Medinox, Inc. (US) 1998-09-30 EP disclosed
US-5719152-A Tricyclic quinoxalinedione derivatives SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1998-02-17 US disclosed
WO-1997018805-A1 COMBINATIONAL THERAPEUTIC METHODS EMPLOYING NITRIC OXIDE SCAVENGERS MEDINOX, INC. (US) 1997-05-29 WO disclosed
WO-1996040141-A1 4,5-BRIDGED QUINOXALINEDIONES AND QUINOLONES AND THE USE THEREOF AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
EP-0627434-A1 Tricyclic quinoxalinedione derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-12-07 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 (4 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-20030087840-A1 Conjugates of dithiocarbamates with pharmacologically active agents and uses therefor NOS1, PTGS1, NOS2 HTR1A 4128/4885DRD2 1620/4885DRD3 2148/4885
US-20090311249-A1 Capecitabine Combination Therapy RICTOR, MTOR, EIF4E HTR1A 3846/4885DRD2 4774/4885DRD3 4818/4885
US-20060216265-A1 Dendrimers as molecular translocators SLC29A1, SLC29A2, TSPO HTR1A 651/4885DRD2 424/4885DRD3 660/4885
US-20080221020-A1 Dendrimers as Molecular Translocators SLC29A1, SLC29A2, TSPO HTR1A 651/4885DRD2 424/4885DRD3 660/4885

“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.