SCHEMBL13295898

SCHEMBL13295898

CNc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.67
▸ ADORA2A P29274 1/20 0.67
▸ NR4A1 P22736 1/20 0.66
▸ MAPT P10636 9/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.65
▸ PABPC1 P11940 3/20 0.65
▸ MEN1 O00255 11/20 0.59
▸ KMT2A Q03164 11/20 0.59
▸ L3MBTL1 Q9Y468 7/20 0.59
▸ MAPK1 P28482 6/20 0.59
▸ POLB P06746 5/20 0.59
▸ TDP1 Q9NUW8 3/20 0.59
▸ THRB P10828 2/20 0.59
▸ NSD2 O96028 1/20 0.59
▸ S100A4 P26447 1/20 0.59
▸ EGFR P00533 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MAP3K5 Q99683 4/20 0.47
▸ USP2 O75604 7/20 0.40
▸ KEAP1 Q14145 3/20 0.40

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
SCHEMBL12311502 0.86 NR4A1 (0.79) CYP1A2ADORA2ANR4A1MAPTSMN1; SMN2
SCHEMBL12311433 0.83 CYP1A2 (0.59) CYP1A2ADORA2ANR4A1MAPTSMN1; SMN2
SCHEMBL29384913 0.83 NR4A1 (0.78) CYP1A2ADORA2ANR4A1MAPTSMN1; SMN2
SCHEMBL305199 0.83 NR4A1 (0.78) CYP1A2ADORA2ANR4A1MAPTSMN1; SMN2
SCHEMBL12311514 0.83 NR4A1 (0.65) CYP1A2ADORA2ANR4A1MAPTSMN1; SMN2
SCHEMBL12311501 0.83 NR4A1 (0.71) CYP1A2ADORA2ANR4A1MAPTSMN1; SMN2
SCHEMBL12336637 0.82 MAPT (0.78) CYP1A2ADORA2ANR4A1MAPTSMN1; SMN2
SCHEMBL12311435 0.82 MAPT (0.60) CYP1A2ADORA2ANR4A1MAPTSMN1; SMN2
SCHEMBL30442565 0.82 MAPT (0.60) CYP1A2ADORA2ANR4A1MAPTSMN1; SMN2
SCHEMBL30678387 0.82 MAPT (0.60) CYP1A2ADORA2ANR4A1MAPTSMN1; SMN2

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
US-7737278-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-15 — — US disclosed
US-7737278-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-15 — — US disclosed
US-7357981-B2 Optical filter FUJIFILM CORPORATION (JP) 2008-04-15 — — US disclosed
US-20080064875-A1 COLORANT COMPOUNDS XEROX CORPORATION (US) 2008-03-13 — — US disclosed
US-20080064875-A1 COLORANT COMPOUNDS XEROX CORPORATION (US) 2008-03-13 — — US disclosed
US-20070176153-A1 ELECTROMAGNETIC WAVE SHIELDING FILM, METHOD OF MANUFACTURING THE SAME, ELECTROMAGNETIC WAVE SHIELDING FILM FOR PLASMA DISPLAY PANEL, AND OPTICAL FILM KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-08-02 — — US disclosed
US-20070176153-A1 ELECTROMAGNETIC WAVE SHIELDING FILM, METHOD OF MANUFACTURING THE SAME, ELECTROMAGNETIC WAVE SHIELDING FILM FOR PLASMA DISPLAY PANEL, AND OPTICAL FILM KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-08-02 — — US disclosed
US-7211131-B2 Phase change inks XEROX CORPORATION (US) 2007-05-01 — — 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 (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-20080064875-A1 COLORANT COMPOUNDS RB1, NDUFS6, PRMT6 CYP1A2 604/4885ADORA2A 2695/4885NR4A1 43/4885

“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.

Send feedback