SCHEMBL19683151

SCHEMBL19683151

CC(C)(C)C1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.53
ACHE P22303 3/20 0.53
BACE1 P56817 3/20 0.53
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
KCNJ1 P48048 1/20 0.49
CCR2 P41597 2/20 0.48
NPC1 O15118 1/20 0.48
NR2F2 P24468 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
HRH3 Q9Y5N1 3/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL16476070 1.00 BCHE (0.53) BCHEACHEBACE1KDM4ESMN1; SMN2
SCHEMBL16476071 1.00 BCHE (0.53) BCHEACHEBACE1KDM4ESMN1; SMN2
SCHEMBL19683310 0.83 ALDH1A1 (0.58) BCHEACHEBACE1KDM4ESMN1; SMN2
SCHEMBL13527050 0.83 ALDH1A1 (0.58) BCHEACHEBACE1KDM4ESMN1; SMN2
SCHEMBL13527054 0.83 ALDH1A1 (0.58) BCHEACHEBACE1KDM4ESMN1; SMN2
SCHEMBL16252994 0.81 GAA (0.55) BCHEACHEBACE1KDM4ESMN1; SMN2
SCHEMBL16479598 0.81 KDM4E (0.51) BCHEACHEBACE1KDM4ESMN1; SMN2
SCHEMBL20303637 0.80 KDM4E (0.54) BCHEACHEBACE1KDM4ESMN1; SMN2
SCHEMBL21774510 0.80 KDM4E (0.54) BCHEACHEBACE1KDM4ESMN1; SMN2
SCHEMBL14568091 0.80 BCHE (0.53) BCHEACHEBACE1KDM4ESMN1; SMN2

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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 US disclosed
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2017-12-07 US 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-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 BCHE 2005/4885ACHE 1354/4885BACE1 2901/4885
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 BCHE 2005/4885ACHE 1354/4885BACE1 2901/4885

“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.