SCHEMBL16884151

SCHEMBL16884151

COc1ccc(CN2CCCC2)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
KMT2A Q03164 5/20 0.61
MEN1 O00255 3/20 0.61
MAPK1 P28482 2/20 0.58
SIGMAR1 Q99720 1/20 0.58
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 2/20 0.58
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58

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
SCHEMBL28191613 0.98 GAA (0.66) GAAKMT2AMEN1MAPK1SIGMAR1
SCHEMBL1600111 0.93 KMT2A (0.65) KMT2AMEN1MAPK1SIGMAR1KDM4E
SCHEMBL18182316 0.86 MAPK1 (0.72) KMT2AMEN1MAPK1SIGMAR1KDM4E
SCHEMBL26113758 0.86 KMT2A (0.56) KMT2AMEN1MAPK1SIGMAR1KDM4E
SCHEMBL9397289 0.86 CXCR4 (0.60) KMT2AMEN1
SCHEMBL2094772 0.86 KMT2A (0.50) GAAKMT2AMEN1MAPK1SIGMAR1
SCHEMBL3377384 0.85 KDM4E (0.64) GAAKMT2AMEN1KDM4EALDH1A1
SCHEMBL14924460 0.85 GAA (0.62) GAAKMT2AMEN1KDM4EALDH1A1
SCHEMBL11296180 0.85 ALDH1A1 (0.59) GAAKMT2AMEN1KDM4EALDH1A1
SCHEMBL1640898 0.85 HTT (0.76) KDM4EALDH1A1

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
CN-103626713-B Ketone (thioketones) the class compound of nitrogen (oxygen) heterocycle pentane 2, its pharmaceutical composition, preparation method and purposes 中国科学院上海药物研究所 2017-07-04 CN disclosed
EP-2867219-B1 ASYMMETRICAL REVERSIBLE NEUROMUSCULAR BLOCKING AGENTS OF ULTRA-SHORT, SHORT, OR INTERMEDIATE DURATION UNIV CORNELL (US) 2017-02-15 EP disclosed
US-9156826-B2 Asymmetrical reversible neuromuscular blocking agents of ultra-short, short, or intermediate duration CORNELL UNIVERSITY (US) 2015-10-13 US disclosed
US-20150191453-A1 ASYMMETRICAL REVERSIBLE NEUROMUSCULAR BLOCKING AGENTS OF ULTRA-SHORT, SHORT, OR INTERMEDIATE DURATION SOCIETAL CDMO, INC. 2015-07-09 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-20150191453-A1 ASYMMETRICAL REVERSIBLE NEUROMUSCULAR BLOCKING AGENTS OF ULTRA-SHORT, SHORT, OR INTERMEDIATE DURATION TNNC1, IMMT, MDH2 GAA 4692/4885KMT2A 2363/4885MEN1 412/4885

“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.