SCHEMBL3548845

SCHEMBL3548845

CSCCNC(=O)CCN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TSHR P16473 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL10036633 0.87 ALDH1A1 (0.62) ALDH1A1TSHRLMNAHPGDRAB9A
Alethine SCHEMBL689905 0.83 TSHR (0.41) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL10036637 0.83
SCHEMBL13225553 0.83 ALDH1A1 (0.58) ALDH1A1TSHRHPGDRAB9ASMN1; SMN2
SCHEMBL1101631 0.81 ALDH1A1 (0.56) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL20118005 0.80 KMT2A (0.38) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL17740055 0.79 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL12107776 0.78 ALDH1A1 (0.52) ALDH1A1HPGDCASP2
SCHEMBL22268862 0.78 ALDH1A1 (0.52) ALDH1A1TSHRHPGDRAB9ASMN1; SMN2
SCHEMBL12584161 0.77 PAOX (0.53) ALDH1A1LMNASMN1; SMN2CA1CA2

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
WO-2016071856-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS AG (CH) 2016-05-12 WO disclosed
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-20140121203-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS MEI PHARMA, INC. (US) 2014-05-01 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-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 (4 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-20140121203-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC1, HDAC2, HDAC5 ALDH1A1 237/4885TSHR 2186/4885CYP3A4 1569/4885
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 514/4885TSHR 3223/4885CYP3A4 3641/4885
US-20100105721-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC1, HDAC2, HDAC5 ALDH1A1 237/4885TSHR 2186/4885CYP3A4 1569/4885
US-20150038703-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC1, HDAC2, HDAC5 ALDH1A1 237/4885TSHR 2186/4885CYP3A4 1569/4885

“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.