SCHEMBL3786182

SCHEMBL3786182

Nc1ccc(-c2ccccc2N)c(Sc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HPGD P15428 5/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
ADORA2A P29274 1/20 0.43
PDE7A Q13946 1/20 0.40
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 3/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPRC P08575 2/20 0.38
NSD2 O96028 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL3792059 0.86 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL3783514 0.83 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL3789390 0.82 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTADORA2A
SCHEMBL3783381 0.81 HPGD (0.50) ALDH1A1HPGDKDM4EMAPTADORA2A
SCHEMBL3789737 0.79 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL3784101 0.78 MAOA (0.50) ALDH1A1HPGDKDM4EMAPTADORA2A
SCHEMBL29083004 0.77 HPGD (0.62) ALDH1A1HPGDKDM4EMAPTADORA2A
SCHEMBL3790087 0.77 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL9631752 0.76 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL3790383 0.75 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTL3MBTL1

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 4339/4885HPGD 2790/4885KDM4E 2606/4885

“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.