SCHEMBL16825974

SCHEMBL16825974

CN(C)c1ccc(CN2CCN(c3nc(N)n[nH]3)CC2)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ AURKA O14965 3/20 0.35
▸ DCTPP1 Q9H773 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ILK Q13418 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL16826185 0.87 GAA (0.39) GAAALDH1A1POLBSMN1; SMN2HTT
SCHEMBL16825870 0.81 ALDH1A1 (0.51) GAAALDH1A1MAPTHTTTSHR
SCHEMBL28145817 0.80 FAAH (0.37) GAAFAAHALDH1A1POLBMAPT
SCHEMBL16825891 0.78 AURKA (0.39) GAAALDH1A1HTTTSHRAURKA
SCHEMBL16826194 0.77 ALDH1A1 (0.50) GAAALDH1A1POLBSMN1; SMN2HTT
SCHEMBL16825972 0.77 LMNA (0.51) GAAALDH1A1MAPTHTTTSHR
SCHEMBL16826236 0.76 SIGMAR1 (0.54) GAAFAAHPOLBSMN1; SMN2LMNA
SCHEMBL16825734 0.75 ALDH1A1 (0.54) GAAALDH1A1MAPTHTTTSHR
SCHEMBL16825881 0.74 KDM4E (0.52) GAAMAPTKDM4E
SCHEMBL16826410 0.74 GAA (0.62) GAAALDH1A1MAPTHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP claimed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US claimed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO claimed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 — — EP disclosed
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC GAA 195/4885FAAH 409/4885ALDH1A1 1006/4885

“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.

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