SCHEMBL12286245

SCHEMBL12286245

CCOC(=O)C1=C(C#N)C2C=CC1S2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.46
KDM4E B2RXH2 8/20 0.46
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
TSHR P16473 3/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 2/20 0.44
ALOX12 P18054 1/20 0.44
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12286065 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2TSHR
SCHEMBL12286063 0.72 HDAC4 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2TSHR
SCHEMBL18501037 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2TSHR
SCHEMBL12286329 0.71 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2TSHRPOLB
SCHEMBL1417041 0.70 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2TSHR
SCHEMBL31376339 0.65 KDM4E (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2TSHR
SCHEMBL18832382 0.62 RAB9A (0.59) ALDH1A1KDM4EMAPTSMN1; SMN2TSHR
SCHEMBL31376344 0.62 HSP90AA1 (0.43) KDM4EMAPTTSHRHSD17B10POLB
SCHEMBL5474695 0.61 KDM4E (0.39) ALDH1A1KDM4EMAPTTSHRHSD17B10
SCHEMBL31303968 0.61 KDM4E (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550386-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2020-02-04 US disclosed
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2017-04-20 US disclosed
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2017-04-20 US disclosed
US-9566340-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-9566340-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2016-04-14 US disclosed
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2016-04-14 US disclosed
US-9198972-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2015-12-01 US disclosed
US-9198972-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2015-12-01 US disclosed
US-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACEUTICALS, INC. (US) 2013-02-28 US disclosed
US-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACEUTICALS, INC. (US) 2013-02-28 US disclosed
WO-2011100131-A9 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACUTICALS, INC. (US) 2011-10-20 WO disclosed
WO-2011100131-A2 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACUTICALS, INC. (US) 2011-08-18 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 (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-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) DNMT1, FANCI, PCNA ALDH1A1 1169/4885KDM4E 2182/4885MAPT 3501/4885
US-10550386-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) FANCI, PCNA, DNMT1 ALDH1A1 971/4885KDM4E 1948/4885MAPT 3723/4885
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 ALDH1A1 971/4885KDM4E 1948/4885MAPT 3723/4885
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 ALDH1A1 971/4885KDM4E 1948/4885MAPT 3723/4885

“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.