SCHEMBL2852620

SCHEMBL2852620

CCn1c2ccccc2c2cc(NC)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.67
MAPT P10636 12/20 0.63
KDM4E B2RXH2 7/20 0.63
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
LMNA P02545 6/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 4/20 0.61
HPGD P15428 4/20 0.61
HTT P42858 2/20 0.61
MAPK1 P28482 1/20 0.61
HBB P68871 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NPY5R Q15761 5/20 0.60
DRD3 P35462 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58

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
SCHEMBL14076561 0.90 KDM1A (0.62) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL25179738 0.88 NPSR1 (0.68) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL19757194 0.85 NPSR1 (0.65) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL2287907 0.84 NPSR1 (0.63) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL6979660 0.83 NPSR1 (0.66) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL10133319 0.81 NPSR1 (0.64) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL14580834 0.81 GPR3 (0.59) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL11099191 0.80 MAPT (0.70) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL11217129 0.80 NPSR1 (0.63) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL7722815 0.80 NPSR1 (1.00) NPSR1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8232312-B2 Substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
EP-2125718-B1 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2010-09-15 EP disclosed
US-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2125718-A2 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-12-02 EP disclosed
WO-2008113760-A2 ARYLSULPHONYGLYCINE DERIVATIVES AS SUPPRESSORS OF THE INTERACTION OF GLYCOGEN PHOSPHORYLASE A WITH THE GL SUBUNIT OF GLYCOGEN-ASSOCIATED PROTEIN PHOSPHATASE 1 (PPL) FOR THE TREATMENT OF METABOLIC DISORDERS, PARTICULARY DIABETES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-25 WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 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 (6 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R NPSR1 18/4885MAPT 4441/4885KDM4E 1429/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPSR1 11/4885MAPT 3442/4885KDM4E 2311/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 NPSR1 885/4885MAPT 4315/4885KDM4E 1219/4885
US-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 NPSR1 1637/4885MAPT 911/4885KDM4E 951/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 NPSR1 1788/4885MAPT 4866/4885KDM4E 2010/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 NPSR1 1136/4885MAPT 4163/4885KDM4E 988/4885

“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.