SCHEMBL3789175

SCHEMBL3789175

CCOc1ccc(N)c(-c2ccccc2N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
PDK2 Q15119 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
NQO1 P15559 1/20 0.45
LTA4H P09960 1/20 0.44
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42

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
SCHEMBL3785223 0.89 TP53 (0.50) MEN1KMT2ANPC1APOBEC3GCYP3A4
SCHEMBL3783750 0.84 NPC1 (0.53) MEN1KMT2ANPC1APOBEC3GCYP3A4
SCHEMBL396847 0.80 TDP1 (0.53) MEN1KMT2ANPC1TP53ALDH1A1
SCHEMBL3783731 0.79 ALDH1A1 (0.52) MEN1KMT2ANPC1CYP3A4TP53
SCHEMBL3786233 0.79 MAOB (0.56) CYP3A4L3MBTL1LMNAMAPTCYP1A2
SCHEMBL398405 0.79 TP53 (0.56) MEN1KMT2ANPC1APOBEC3GCYP3A4
SCHEMBL28483559 0.79 NQO1 (0.54) MEN1KMT2ANPC1APOBEC3GCYP3A4
SCHEMBL3788470 0.77 TDP1 (0.60) MEN1KMT2ANPC1APOBEC3GCYP3A4
SCHEMBL3786847 0.77 TP53 (0.62) MEN1KMT2ANPC1APOBEC3GCYP3A4
SCHEMBL30646246 0.77 MEN1 (0.66) MEN1KMT2ANPC1APOBEC3GCYP3A4

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 MEN1 174/4885KMT2A 1474/4885NPC1 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.