SCHEMBL3129703

SCHEMBL3129703

CN(C)c1cccc(-c2ccc(OC(N)=O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KIF11 P52732 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.45
FFAR1 O14842 1/20 0.45
FYN P06241 1/20 0.44
PNPLA2 Q96AD5 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CHEK2 O96017 1/20 0.43
AOC3 Q16853 1/20 0.43
ABHD6 Q9BV23 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL28920273 0.82 MEN1 (0.66) MEN1KMT2ALMNAGFERCHEK2
SCHEMBL13680495 0.80 MEN1 (0.52) MEN1KMT2AKIF11LMNAGAA
SCHEMBL9645558 0.78 ALDH1A1 (0.49) MEN1KMT2AKIF11LMNAGFER
SCHEMBL19698858 0.78 ALDH1A1 (0.54) LRRK2GFERFFAR1FYNPNPLA2
SCHEMBL30979866 0.77 ABL1 (0.59) LMNAFYNMAPT
SCHEMBL3131557 0.77 LMNA (0.61) MEN1KMT2AKIF11LMNAGAA
SCHEMBL3129698 0.77 FYN (0.45) LRRK2FYNBCHEACHE
SCHEMBL1955422 0.76 KIF11 (0.61) MEN1KMT2AKIF11LMNAGAA
SCHEMBL71708 0.74 RXRA (0.57) MEN1KMT2AFFAR1AOC3
SCHEMBL29520575 0.74 PNPLA2 (0.53) GFERFFAR1FYNPNPLA2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 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-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND CCR3, CCR5, CCR1 LRRK2 1823/4885MEN1 2946/4885KMT2A 3570/4885

“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.