SCHEMBL12425519

SCHEMBL12425519

CCCNc1nnc(-c2ccc(C(=O)OC)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 11/20 0.51
CSNK2A1 P68400 11/20 0.51
KDM4E B2RXH2 5/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
DDX3X O00571 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RCE1 Q9Y256 1/20 0.44

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
SCHEMBL1647929 0.92 CSNK2A2 (0.53) CSNK2A2CSNK2A1KDM4EKMT2AALDH1A1
SCHEMBL6539250 0.77 CYP4A11 (0.57) CSNK2A2CSNK2A1KDM4EKMT2AALDH1A1
SCHEMBL6539257 0.77 MAPT (0.59) CSNK2A2CSNK2A1KDM4EMAPTLMNA
SCHEMBL7324615 0.77 CA1 (0.65) CSNK2A2CSNK2A1KDM4EKMT2AALDH1A1
SCHEMBL13244789 0.77 KDM4E (0.56) CSNK2A2CSNK2A1KDM4EKMT2AALDH1A1
SCHEMBL13442817 0.77 MAPT (0.60) CSNK2A2CSNK2A1KDM4EKMT2AALDH1A1
SCHEMBL7332256 0.76 SMN1; SMN2 (0.58) CSNK2A2CSNK2A1KDM4EKMT2AALDH1A1
SCHEMBL6539186 0.76 CYP4A11 (0.56) CSNK2A2CSNK2A1KDM4EKMT2AALDH1A1
SCHEMBL28587303 0.76 HDAC6 (0.62) CSNK2A2CSNK2A1KDM4EKMT2AALDH1A1
SCHEMBL6539013 0.76 CA1 (0.66) CSNK2A2CSNK2A1KDM4EKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 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 (1 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-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES S1PR2, S1PR3, S1PR1 CSNK2A2 1828/4885CSNK2A1 1786/4885KDM4E 4607/4885

“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.