SCHEMBL3784786

SCHEMBL3784786

Cc1ccc(-c2ccc(N)cc2)c(C)c1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
ACHE P22303 1/20 0.39
CASP1 P29466 3/20 0.38
DHFR P00374 1/20 0.38
TSHR P16473 3/20 0.36
NPC1 O15118 2/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
CASP3 P42574 1/20 0.36
HBB P68871 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLA2G7 Q13093 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL31607700 1.00 POLB (0.67) POLBALDH1A1CYP3A4TDP1TP53
SCHEMBL11206611 0.87 POLB (0.67) POLBALDH1A1CYP3A4TDP1ACHE
SCHEMBL8954051 0.84 CYP3A4 (0.53) POLBALDH1A1CYP3A4TDP1TP53
SCHEMBL31607617 0.83 POLB (0.48) POLBALDH1A1CYP3A4TDP1TP53
SCHEMBL397459 0.83 POLB (0.48) POLBALDH1A1CYP3A4TDP1TP53
SCHEMBL10935618 0.83 POLB (0.67) POLBALDH1A1CYP3A4TDP1DHFR
SCHEMBL9326463 0.81 POLB (1.00) POLBALDH1A1CYP3A4TDP1TP53
SCHEMBL10936574 0.80 POLB (0.57) POLBALDH1A1CYP3A4TDP1ACHE
SCHEMBL3783964 0.77 ALDH1A1 (0.54) POLBALDH1A1CYP3A4TDP1TP53
SCHEMBL186971 0.77 POLB (0.41) POLBALDH1A1CYP3A4TDP1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384489-A Method for producing organic compound 尤尼吉可株式会社 2021-02-19 CN disclosed
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 POLB 2303/4885ALDH1A1 4339/4885CYP3A4 177/4885

“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.