SCHEMBL19683310

SCHEMBL19683310

CC1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HRH3 Q9Y5N1 4/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
BACE1 P56817 1/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
KCNJ1 P48048 1/20 0.52
NPC1 O15118 1/20 0.51
NR2F2 P24468 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
CCR2 P41597 1/20 0.51
HRH4 Q9H3N8 1/20 0.51

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
SCHEMBL13527050 1.00 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2HRH3BCHE
SCHEMBL13527054 1.00 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2HRH3BCHE
SCHEMBL13726519 0.84 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL16479598 0.84 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2HRH3BCHE
SCHEMBL20303637 0.83 KDM4E (0.54) ALDH1A1KDM4ESMN1; SMN2HRH3BCHE
SCHEMBL21774510 0.83 KDM4E (0.54) ALDH1A1KDM4ESMN1; SMN2HRH3BCHE
SCHEMBL16476071 0.83 BCHE (0.53) ALDH1A1KDM4ESMN1; SMN2HRH3BCHE
SCHEMBL14568091 0.83 BCHE (0.53) ALDH1A1KDM4ESMN1; SMN2HRH3BCHE
SCHEMBL16476070 0.83 BCHE (0.53) ALDH1A1KDM4ESMN1; SMN2HRH3BCHE
SCHEMBL19683151 0.83 BCHE (0.53) ALDH1A1KDM4ESMN1; SMN2HRH3BCHE

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 ALDH1A1 1300/4885KDM4E 3922/4885SMN1; SMN2 4358/4885
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 ALDH1A1 1300/4885KDM4E 3922/4885SMN1; SMN2 4358/4885

“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.