SCHEMBL3789437

SCHEMBL3789437

Cc1cc(N)ccc1-c1ccccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
PLA2G7 Q13093 1/20 0.47
CASP1 P29466 2/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PTPRC P08575 2/20 0.44
HPGD P15428 2/20 0.44
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
NSD2 O96028 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
SCHEMBL29103604 0.89 ALDH1A1 (0.43) ALDH1A1L3MBTL1PLA2G7CASP1NPC1
SCHEMBL8146041 0.89 ALDH1A1 (0.54) ALDH1A1L3MBTL1PLA2G7CASP1NPC1
O-Tolylamine SCHEMBL29140498 0.88 CYP3A4 (0.60) ALDH1A1L3MBTL1PLA2G7CASP1NPC1
SCHEMBL1461185 0.87 PLA2G7 (0.55) ALDH1A1L3MBTL1PLA2G7CASP1NPC1
SCHEMBL6011503 0.85 CASP1 (0.58) ALDH1A1L3MBTL1PLA2G7CASP1NPC1
SCHEMBL30839745 0.84 ALDH1A1 (0.65) ALDH1A1L3MBTL1PLA2G7CASP1NPC1
SCHEMBL63910 0.84 ALDH1A1 (0.65) ALDH1A1L3MBTL1PLA2G7CASP1NPC1
SCHEMBL29777463 0.84 ALDH1A1 (0.65) ALDH1A1L3MBTL1PLA2G7CASP1NPC1
SCHEMBL16280579 0.84 ALDH1A1 (0.65) ALDH1A1L3MBTL1PLA2G7CASP1NPC1
SCHEMBL29683594 0.84 CYP3A4 (0.48) ALDH1A1L3MBTL1PLA2G7CASP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 4339/4885L3MBTL1 3838/4885PLA2G7 2860/4885

“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.