SCHEMBL3784711

SCHEMBL3784711

NCc1cc(N)ccc1-c1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CYP3A4 P08684 3/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPRC P08575 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
DPP4 P27487 2/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
PLA2G1B P04054 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3783728 0.85 ALDH1A1 (0.50) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3787212 0.83 ALDH1A1 (0.48) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3790601 0.81 ALDH1A1 (0.62) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL27735945 0.81 DPP4 (0.50) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL27454834 0.79 ALDH1A1 (0.59) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL6011318 0.79 ALDH1A1 (0.65) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3781497 0.78 DPP4 (0.61) ALDH1A1SMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL5685366 0.76 DPP4 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL5133404 0.74 ALDH1A1 (0.65) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3788707 0.74 DPP4 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9ACYP3A4

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 3838/4885SMN1; SMN2 4524/4885

“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.