SCHEMBL2146703

SCHEMBL2146703

CCCC[N+]1(C)CCCC1.N#CB(F)C#N.N#CB(F)C#N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.38
KDM4E B2RXH2 1/20 0.32
LMNA P02545 3/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 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
SCHEMBL2838258 0.84 BBOX1 (0.39) BBOX1KDM4ELMNAKMT2ACYP3A4
SCHEMBL13276399 0.81 BBOX1 (0.40) BBOX1KDM4ELMNAKMT2ACYP3A4
Thiocyanic Acid SCHEMBL613342 0.81 BBOX1 (0.42) BBOX1KDM4ELMNAKMT2ACYP3A4
Cyanamide SCHEMBL666990 0.81 BBOX1 (0.42) BBOX1KDM4ELMNAKMT2ACYP3A4
SCHEMBL3622275 0.81 BBOX1 (0.42) BBOX1KDM4ELMNAKMT2ACYP3A4
SCHEMBL34829 0.80 BBOX1 (0.52) BBOX1KDM4ELMNAKMT2ACYP3A4
SCHEMBL2146700 0.80 BBOX1 (0.39) BBOX1KDM4ELMNAKMT2ACYP3A4
Cyanamide SCHEMBL206467 0.79 BBOX1 (0.41) BBOX1KDM4ELMNAKMT2ACYP3A4
SCHEMBL4938223 0.79 BBOX1 (0.41) BBOX1KDM4ELMNAKMT2ACYP3A4
SCHEMBL30331071 0.78 BBOX1 (0.47) BBOX1KDM4ELMNAKMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829201-B2 Electrolyte Formulations MERCK PATENT GMBH (DE) 2014-09-09 US disclosed
US-20120318360-A1 Electrolyte Formulations MERCK PATENT GMBH (DE) 2012-12-20 US disclosed
WO-2011085964-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2011-07-21 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-20120318360-A1 Electrolyte Formulations NHERF1, HCN4, DDT BBOX1 3194/4885KDM4E 1254/4885LMNA 4315/4885

“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.