SCHEMBL3780745

SCHEMBL3780745

Cc1ccc(N)cc1-c1ccccc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.67
ALDH1A1 P00352 6/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CASP1 P29466 2/20 0.52
NPC1 O15118 6/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
CYP3A4 P08684 4/20 0.45
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 2/20 0.45
PTPRC P08575 2/20 0.44
MEN1 O00255 1/20 0.44
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
NSD2 O96028 1/20 0.44
LMNA P02545 1/20 0.44
PLA2G1B P04054 1/20 0.44
POLB P06746 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
SCHEMBL10094651 0.87 PLA2G7 (0.71) PLA2G7ALDH1A1L3MBTL1CASP1NPC1
SCHEMBL8848693 0.84 PLA2G7 (0.65) PLA2G7ALDH1A1L3MBTL1CASP1NPC1
SCHEMBL30092397 0.84 PLA2G7 (0.65) PLA2G7ALDH1A1L3MBTL1CASP1NPC1
SCHEMBL31607621 0.84 PLA2G7 (0.65) PLA2G7ALDH1A1L3MBTL1CASP1NPC1
SCHEMBL31661352 0.84 PLA2G7 (0.58) PLA2G7ALDH1A1CASP1NPC1RAB9A
SCHEMBL3785048 0.84 PLA2G7 (0.58) PLA2G7ALDH1A1CASP1NPC1RAB9A
SCHEMBL173368 0.83 PLA2G7 (0.56) PLA2G7ALDH1A1L3MBTL1CASP1NPC1
SCHEMBL7775604 0.83 ALDH1A1 (0.54) PLA2G7ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL3789437 0.83 ALDH1A1 (0.54) PLA2G7ALDH1A1L3MBTL1CASP1NPC1
SCHEMBL6011559 0.83 CASP1 (0.62) PLA2G7ALDH1A1CASP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292362-A1 Catalytically Active Radical Scavengers Based on Benzylic and Allylic Functionalities HOLLAND NOVOCHEM TECHNICAL COATINGS B.V. (NL) 2019-09-26 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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 (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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 PLA2G7 2860/4885ALDH1A1 4339/4885L3MBTL1 3838/4885

“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.