SCHEMBL3786502

SCHEMBL3786502

CN(C)c1cc(N)ccc1-c1ccccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP3A4 P08684 3/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
PTPRC P08575 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40
PLA2G1B P04054 1/20 0.40
POLB P06746 1/20 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
SCHEMBL3790652 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL14746776 0.82 PLA2G7 (0.57) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL3792075 0.82 ALDH1A1 (0.59) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6571965 0.81 CHEK1 (0.48) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL3786439 0.79 PGR (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL3786317 0.78 MAOA (0.45) ALDH1A1CYP3A4TSHRLMNAHPGD
SCHEMBL6011318 0.78 ALDH1A1 (0.65) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL14746715 0.75 PLA2G7 (0.49) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL3677212 0.75 CYP3A4 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL3789437 0.75 ALDH1A1 (0.54) ALDH1A1L3MBTL1NPC1RAB9ASMN1; 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 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 3838/4885NPC1 724/4885

“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.