SCHEMBL3780784

SCHEMBL3780784

CN(C)c1cccc(-c2cccc(N)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
FYN P06241 5/20 0.48
MAP4K4 O95819 4/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
NOTUM Q6P988 1/20 0.46
MEN1 O00255 1/20 0.46
PSIP1 O75475 1/20 0.46
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
LRRK2 Q5S007 1/20 0.44
CYP3A4 P08684 1/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3794874 0.88 MAOA (0.52) MAOAFYNMAP4K4ALDH1A1TSHR
SCHEMBL374790 0.87 ALDH1A1 (0.54) MAOAFYNALDH1A1TSHRNOTUM
SCHEMBL29647628 0.87 ALDH1A1 (0.54) MAOAFYNALDH1A1TSHRNOTUM
SCHEMBL30602821 0.87 ALDH1A1 (0.58) FYNALDH1A1TSHRNOTUMLRRK2
SCHEMBL3781477 0.86 MAOA (0.59) MAOAMAP4K4ALDH1A1TSHRMEN1
SCHEMBL3785712 0.86 ALDH1A1 (0.52) MAOAFYNALDH1A1TSHRNOTUM
Water SCHEMBL28687154 0.85 ALDH1A1 (0.52) MAOAFYNALDH1A1TSHRNOTUM
Hydrochloric Acid SCHEMBL55144 0.85 ALDH1A1 (0.52) MAOAFYNALDH1A1TSHRNOTUM
Hydrochloric Acid SCHEMBL30469303 0.85 ALDH1A1 (0.52) MAOAFYNALDH1A1TSHRNOTUM
Hydrochloric Acid SCHEMBL374925 0.85 ALDH1A1 (0.52) MAOAFYNALDH1A1TSHRNOTUM

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
US-20200354356-A1 SENSOR COMPOUNDS AND ASSOCIATED METHODS AND DEVICES UNIVERSITY OF UTAH 2020-11-12 US 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 (2 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-20200354356-A1 SENSOR COMPOUNDS AND ASSOCIATED METHODS AND DEVICES NCS1, DAXX, CNDP2 MAOA 966/4885FYN 3523/4885MAP4K4 1254/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MAOA 348/4885FYN 390/4885MAP4K4 3704/4885

“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.