SCHEMBL13407583

SCHEMBL13407583

CCCN(CCO)C(=O)CCC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
PYGL P06737 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.32
CNR1 P21554 2/20 0.30
CNR2 P34972 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
CA1 P00915 1/20 0.30
MLYCD O95822 1/20 0.30

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
SCHEMBL8632384 0.82 ALDH1A1 (0.57) ALDH1A1HPGDCA12CA2CA9
SCHEMBL14945734 0.81 ALDH1A1 (0.42) ALDH1A1HPGDCA12CA2CA9
SCHEMBL29599475 0.80 ALDH1A1 (0.36) ALDH1A1HPGDCA12CA2CA9
SCHEMBL15677508 0.80 ALDH1A1 (0.55) ALDH1A1HPGDCA12CA2CA9
SCHEMBL30516910 0.79 ALDH1A1 (0.53) ALDH1A1HPGDCA12CA2CA9
SCHEMBL10181441 0.78 CA12 (0.41) ALDH1A1HPGDCA12CA2CA9
SCHEMBL19728221 0.78 CA12 (0.41) ALDH1A1HPGDCA12CA2CA9
SCHEMBL8880053 0.78 ALDH1A1 (0.61) ALDH1A1HPGDCA12CA2CA9
SCHEMBL6022025 0.78 ALDH1A1 (0.50) ALDH1A1HPGDCA12CA2CA9
SCHEMBL16159995 0.76 ALDH1A1 (0.48) ALDH1A1HPGDCA12CA2CA9

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-9266882-B2 Imidazo[1,2-a]pyridine derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2016-02-23 US disclosed
US-20150038703-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HELSINN HEALTHCARE SA (CH) 2015-02-05 US disclosed
US-8901149-B2 Imidazo[1,2-a]pyridine derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2014-12-02 US disclosed
US-8648092-B2 Imidazo[1,2-a]pyridine derivatives: preparation and pharmaceutical applications MEI Pharma (US) 2014-02-11 US disclosed
US-20100105721-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2010-04-29 US disclosed
US-7666880-B2 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders S*BIO PTE LTD. (SG) 2010-02-23 US disclosed
US-7666880-B2 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders S*BIO PTE LTD. (SG) 2010-02-23 US disclosed
US-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders S*BIO PTE LTD. (SG) 2008-04-10 US disclosed
US-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders S*BIO PTE LTD. (SG) 2008-04-10 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 (3 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-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders HDAC1, HDAC5, HDAC11 ALDH1A1 514/4885HPGD 85/4885CA12 1836/4885
US-20100105721-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC1, HDAC2, HDAC5 ALDH1A1 237/4885HPGD 76/4885CA12 2017/4885
US-20150038703-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC1, HDAC2, HDAC5 ALDH1A1 237/4885HPGD 76/4885CA12 2017/4885

“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.