SCHEMBL3786847

SCHEMBL3786847

CCOc1ccc(N)c(-c2cccc(N)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
CYP3A4 P08684 1/20 0.62
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 3/20 0.46
NOTUM Q6P988 1/20 0.43
MAP4K4 O95819 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 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
SCHEMBL6574171 0.88 TP53 (0.62) TP53CYP3A4MEN1KMT2ANPC1
SCHEMBL3789833 0.88 TP53 (0.62) TP53CYP3A4MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL6574118 0.86 TP53 (0.60) TP53CYP3A4MEN1KMT2ANPC1
SCHEMBL3783750 0.85 NPC1 (0.53) TP53CYP3A4MEN1KMT2ANPC1
SCHEMBL3790187 0.82 CYP3A4 (0.58) TP53CYP3A4MEN1KMT2ANPC1
SCHEMBL3788470 0.82 TDP1 (0.60) TP53CYP3A4MEN1KMT2ANPC1
SCHEMBL30093058 0.82 CYP3A4 (0.79) TP53CYP3A4TSHRTDP1NOTUM
SCHEMBL3793225 0.82 CYP3A4 (0.79) TP53CYP3A4TSHRTDP1NOTUM
SCHEMBL3788471 0.81 MAOB (0.65) MAPTL3MBTL1GAA
SCHEMBL978718 0.80 TP53 (0.65) TP53CYP3A4MEN1KMT2ANPC1

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 TP53 2819/4885CYP3A4 177/4885MEN1 174/4885

“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.