SCHEMBL16588359

SCHEMBL16588359

CCC1CCC(CN=[N+]=[N-])CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL14527954 0.88
SCHEMBL14818402 0.82 CYP1A1 (0.33) CYP1A1CYP1A2CYP1B1JAK2JAK1
SCHEMBL14386885 0.82
Cyanide SCHEMBL27813410 0.81
SCHEMBL15922704 0.78
SCHEMBL14861622 0.78
SCHEMBL16213001 0.77 CYP1A1 (0.33) CYP1A1CYP1A2CYP1B1JAK2JAK1
SCHEMBL20855589 0.77 GBA1 (0.33) CYP1A1CYP1A2CYP1B1JAK2JAK1
SCHEMBL14270565 0.77 GBA1 (0.33) CYP1A1CYP1A2CYP1B1JAK2JAK1
SCHEMBL16213187 0.77 CYP1A1 (0.33) CYP1A1CYP1A2CYP1B1JAK2JAK1

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-3049426-B1 GLYCOCLUSTERS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS CENTRE NAT RECH SCIENT (FR) 2017-11-01 EP disclosed
WO-2017009325-A1 5-HYDROXYALKYLBENZIMIDAZOLES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-19 WO disclosed
US-20160287620-A1 GLYCOCLUSTERS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS UNIVERSITE DE MONTPELLIER (FR) 2016-10-06 US disclosed
EP-2851371-A1 Glycoclusters and their pharmaceutical use as antibacterials Centre National de la Recherche Scientifique (CNRS) (FR) 2015-03-25 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-20160287620-A1 GLYCOCLUSTERS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS GALE, MGAM, GALK1 CYP1A1 2895/4885CYP1A2 3119/4885CYP1B1 2717/4885

“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.