SCHEMBL11952855

SCHEMBL11952855

CN1CCN(CC(=O)NCCN)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 3/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ALPL P05186 1/20 0.40
PTBP1 P26599 1/20 0.40
TP53 P04637 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
SCHEMBL12605215 0.94 SIGMAR1 (0.49) SIGMAR1ALDH1A1SMN1; SMN2KDM4EALOX15
SCHEMBL27259214 0.85 SIGMAR1 (0.56) SIGMAR1ALDH1A1SMN1; SMN2KDM4EALOX15
SCHEMBL28679451 0.84 ALDH1A1 (0.49) SIGMAR1ALDH1A1SMN1; SMN2KDM4EALOX15
SCHEMBL23768343 0.84 ALDH1A1 (0.53) SIGMAR1ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL9098499 0.84 ALDH1A1 (0.53) SIGMAR1ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL4578879 0.84 SIGMAR1 (0.55) SIGMAR1ALDH1A1SMN1; SMN2KDM4EALOX15
SCHEMBL5095076 0.84 SIGMAR1 (0.55) SIGMAR1ALDH1A1SMN1; SMN2KDM4EALOX15
SCHEMBL8396113 0.84 SIGMAR1 (0.55) SIGMAR1ALDH1A1SMN1; SMN2KDM4EALOX15
SCHEMBL16731671 0.84 ALDH1A1 (0.53) SIGMAR1ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL12906765 0.81 ALDH1A1 (0.53) SIGMAR1ALDH1A1SMN1; SMN2KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492163-B2 Methods, mixtures, kits and compositions pertaining to analyte determination DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2013-07-23 US disclosed
US-8492163-B2 Methods, mixtures, kits and compositions pertaining to analyte determination DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2013-07-23 US disclosed
US-20120196378-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination DH TECHNOLOGIES DEVELOPMNET PTE LTD. (SI) 2012-08-02 US disclosed
US-20120196378-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination DH TECHNOLOGIES DEVELOPMNET PTE LTD. (SI) 2012-08-02 US disclosed
US-7906341-B2 Isobaric sets, mass differential labeling sets; mass spectrometry DH TECHNOLOGIES DEVELOPMENT PTE, LTD. (SG) 2011-03-15 US disclosed
US-7906341-B2 Isobaric sets, mass differential labeling sets; mass spectrometry DH TECHNOLOGIES DEVELOPMENT PTE, LTD. (SG) 2011-03-15 US disclosed
US-20080241955-A1 Methods, Mixtures, Kits And Compositions Pertaining To Analyte Determination APPLERA CORPORATION (US) 2008-10-02 US disclosed
US-20080241955-A1 Methods, Mixtures, Kits And Compositions Pertaining To Analyte Determination APPLERA CORPORATION (US) 2008-10-02 US disclosed
WO-2008005846-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION APPLERA CORPORATION (US) 2008-01-10 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 (2 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-20080241955-A1 Methods, Mixtures, Kits And Compositions Pertaining To Analyte Determination SRMS, KLK3, MPO SIGMAR1 4448/4885ALDH1A1 130/4885SMN1; SMN2 2625/4885
US-20120196378-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination SRMS, KLK3, MPO SIGMAR1 4448/4885ALDH1A1 130/4885SMN1; SMN2 2625/4885

“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.