SCHEMBL12220197

SCHEMBL12220197

COc1ccc(CN2C=CN(Cc3ccc(CO)cc3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.50
SIGMAR1 Q99720 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
LMNA P02545 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PTGIR P43119 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MMP1 P03956 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL15429645 0.91 CMA1 (0.58) CMA1SIGMAR1ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL2530335 0.90 CMA1 (0.56) CMA1SIGMAR1ALDH1A1MAPTKDM4E
SCHEMBL1009271 0.81 SIGMAR1 (0.47) CMA1SIGMAR1ALDH1A1MAPTKDM4E
Bromide SCHEMBL2196195 0.80 SIGMAR1 (0.46) CMA1SIGMAR1ALDH1A1MAPTKDM4E
SCHEMBL27329 0.80 IDO1 (0.58) ALDH1A1ALOX15SMN1; SMN2TAAR1
SCHEMBL4181089 0.80 IDO1 (0.58) ALDH1A1ALOX15SMN1; SMN2TAAR1
Iodide SCHEMBL11084431 0.79 SIGMAR1 (0.45) CMA1SIGMAR1ALDH1A1MAPTKDM4E
SCHEMBL1475480 0.78 IDO1 (0.56) ALDH1A1ALOX15SMN1; SMN2TAAR1
Methoxymethane SCHEMBL28284584 0.78 IDO1 (0.56) ALDH1A1ALOX15SMN1; SMN2TAAR1
SCHEMBL1477048 0.78 IDO1 (0.56) ALDH1A1ALOX15SMN1; SMN2TAAR1

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-8632914-B2 Triazolium and imidazolium salts and uses thereof UNIVERSITY HEALTH NETWORK (CA) 2014-01-21 US disclosed
US-20110257235-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2011-10-20 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 (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-20110257235-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF ARG2, ARG1, CIT CMA1 3252/4885SIGMAR1 209/4885ALDH1A1 3979/4885

“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.