SCHEMBL975465

SCHEMBL975465

CCOC(=O)c1sc(C2CCNCC2)nc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
HSD17B10 Q99714 1/20 0.59
HPGD P15428 1/20 0.57
DHODH Q02127 10/20 0.55
CDC7 O00311 3/20 0.55
DBF4 Q9UBU7 3/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
GSTO1 P78417 1/20 0.51
PLAT P00750 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.48

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
SCHEMBL16597776 0.92 BTK (0.59) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL17766765 0.85 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL975828 0.84 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL3658790 0.83 MEN1 (0.52) ALDH1A1CDC7DBF4MEN1KMT2A
SCHEMBL16597585 0.82 BTK (0.72) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL17775919 0.81 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL18017496 0.81 BTK (0.70) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL16391928 0.80 ALDH1A1 (0.51) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL18017539 0.77 BTK (0.65) MEN1KMT2A
SCHEMBL7445418 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDDHODHMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771357-B2 ALXR agonist compound ONO PHARMACEUTICAL CO., LTD. (JP) 2017-09-26 US disclosed
US-9771357-B2 ALXR agonist compound ONO PHARMACEUTICAL CO., LTD. (JP) 2017-09-26 US disclosed
US-9771357-B2 ALXR agonist compound ONO PHARMACEUTICAL CO., LTD. (JP) 2017-09-26 US disclosed
US-20160145249-A1 ALXR AGONIST COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-26 US disclosed
US-20160145249-A1 ALXR AGONIST COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-26 US disclosed
US-20160145249-A1 ALXR AGONIST COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-26 US disclosed
WO-2015005305-A1 ALXR AGONIST COMPOUND 小野薬品工業株式会社 (JP) 2015-01-15 WO disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 ALDH1A1 699/4885HSD17B10 527/4885HPGD 326/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 ALDH1A1 699/4885HSD17B10 527/4885HPGD 326/4885
US-20160145249-A1 ALXR AGONIST COMPOUND MRGPRX2, MRGPRX1, MRGPRX4 ALDH1A1 1112/4885HSD17B10 665/4885HPGD 1072/4885

“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.