SCHEMBL10000463

SCHEMBL10000463

CN(CC(=O)OC(C)(C)C)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 3/20 0.44
LMNA P02545 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.37
AAK1 Q2M2I8 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAPT P10636 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL30936758 0.84 RIPK1 (0.40) LMNAALDH1A1MAPK1MTNR1AMTNR1B
SCHEMBL16682553 0.82 MAPT (0.39) L3MBTL1SMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL6437793 0.74 MEN1 (0.42) SMN1; SMN2ALDH1A1MTNR1AMTNR1B
SCHEMBL23705585 0.74 FPR2 (0.38) AAK1SMN1; SMN2ALDH1A1MTNR1AMTNR1B
SCHEMBL3313756 0.73 ALDH1A1 (0.40) LMNAL3MBTL1AAK1ALDH1A1MTNR1A
SCHEMBL18286157 0.72 KMT2A (0.47) NCEH1LMNAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL947274 0.72 ALDH1A1 (0.44) LMNAL3MBTL1POLBSMN1; SMN2ALDH1A1
SCHEMBL571513 0.72 NCEH1 (0.42) NCEH1LMNAL3MBTL1POLBAAK1
SCHEMBL13765282 0.72 CYP2A6 (0.42) ALDH1A1MAPT
SCHEMBL10000460 0.72 LMNA (0.45) NCEH1LMNAL3MBTL1ALDH1A1MAPK1

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
US-8557811-B2 Dual-color imaging method of sodium/calcium activities using two-photon fluorescent probes and preparation method of two-photon fluorescent probes Ajou University Industry—Academic Cooperation Foundation (KR) 2013-10-15 US disclosed
US-8557811-B2 Dual-color imaging method of sodium/calcium activities using two-photon fluorescent probes and preparation method of two-photon fluorescent probes Ajou University Industry—Academic Cooperation Foundation (KR) 2013-10-15 US disclosed
US-20120035360-A1 DUAL-COLOR IMAGING METHOD OF SODIUM/CALCIUM ACTIVITIES USING TWO-PHOTON FLUORESCENT PROBES AND PREPARATION METHOD OF TWO-PHOTON FLUORESCENT PROBES AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION 2012-02-09 US disclosed
US-20120035360-A1 DUAL-COLOR IMAGING METHOD OF SODIUM/CALCIUM ACTIVITIES USING TWO-PHOTON FLUORESCENT PROBES AND PREPARATION METHOD OF TWO-PHOTON FLUORESCENT PROBES AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION 2012-02-09 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-20120035360-A1 DUAL-COLOR IMAGING METHOD OF SODIUM/CALCIUM ACTIVITIES USING TWO-PHOTON FLUORESCENT PROBES AND PREPARATION METHOD OF TWO-PHOTON FLUORESCENT PROBES CACNB2, CA2, ATP2A2 NCEH1 2140/4885LMNA 773/4885L3MBTL1 3676/4885

“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.