SCHEMBL5658498

SCHEMBL5658498

Cc1cnn(-c2cc[c]cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.37
NOS1 P29475 1/20 0.37
GRM4 Q14833 2/20 0.35
HPGD P15428 5/20 0.35
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGDS O60760 1/20 0.34
ALKBH2 Q6NS38 1/20 0.34
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL7028384 0.81 MAPT (0.47) TDO2MAPTKDM4EMAPK1NPSR1
SCHEMBL255496 0.79 GAA (0.59) TDO2MAPTKDM4EMAPK1NPSR1
SCHEMBL9024901 0.78 GRM4 (0.46) TDO2MAPTKDM4EMAPK1NPSR1
SCHEMBL9134518 0.76 ALDH1A1 (0.49) TDO2MAPTKDM4EMAPK1NPSR1
SCHEMBL533508 0.76 TDO2 (0.40) TDO2GAAGRM4NPC1RAB9A
SCHEMBL533448 0.76 MAP4K4 (0.40) MAPTKDM4EGAAGRM4NPC1
SCHEMBL27649794 0.76 GAA (0.37) GAAGRM4NPC1RAB9ASMN1; SMN2
SCHEMBL12349894 0.76 GRM4 (0.43) TDO2MAPTKDM4EMAPK1NPSR1
SCHEMBL3095150 0.76 TDO2 (0.41) TDO2MAPTKDM4EMAPK1NPSR1
SCHEMBL12988820 0.76 MELK (0.50) TDO2MAPTKDM4EMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100372532-C Imidazolin-2-ylaminophenyl amides as IP antagonists. HOFFMANN LA ROCHE (CH) 2008-03-05 CN disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
CN-1780617-A Imidazolin-2-ylaminophenyl amides as IP antagonists. HOFFMANN LA ROCHE (CH) 2006-05-31 CN disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US disclosed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO disclosed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 US 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 (2 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR TDO2 3122/4885MAPT 4803/4885KDM4E 3464/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR TDO2 2509/4885MAPT 4830/4885KDM4E 3971/4885

“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.