SCHEMBL5406834

SCHEMBL5406834

Cc1ccc(Oc2ccc(NC(=S)NC#N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
HTT P42858 5/20 0.51
KMT2A Q03164 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MAPT P10636 5/20 0.49
MEN1 O00255 4/20 0.49
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
ALOX12 P18054 6/20 0.47
HPGD P15428 4/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
EPHX1 P07099 1/20 0.46
GAA P10253 3/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL8987945 0.90 KMT2A (0.56) ALDH1A1HTTKMT2ASMN1; SMN2NPSR1
SCHEMBL6977163 0.89 KMT2A (0.55) ALDH1A1HTTKMT2ASMN1; SMN2NPSR1
SCHEMBL5407086 0.86 MAPT (0.62) ALDH1A1HTTKMT2ASMN1; SMN2NPSR1
SCHEMBL8614488 0.85 ALDH1A1 (0.64) ALDH1A1HTTKMT2ASMN1; SMN2NPSR1
SCHEMBL5408821 0.84 MAOB (0.55) ALDH1A1HTTKMT2ASMN1; SMN2MAPT
SCHEMBL5404673 0.84 ALDH1A1 (0.53) ALDH1A1HTTKMT2ASMN1; SMN2NPSR1
SCHEMBL8983529 0.82 HPGD (0.64) ALDH1A1HTTKMT2ASMN1; SMN2NPSR1
SCHEMBL6975678 0.81 HPGD (0.62) ALDH1A1HTTKMT2ASMN1; SMN2NPSR1
SCHEMBL5408431 0.80 IDO1 (0.44) ALDH1A1HTTKMT2ASMN1; SMN2NPSR1
SCHEMBL14181848 0.79 KMT2A (0.71) ALDH1A1HTTKMT2ASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 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 (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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 ALDH1A1 3023/4885HTT 1038/4885KMT2A 650/4885

“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.