SCHEMBL21163154

SCHEMBL21163154

S=C(NI)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.59
MGLL Q99685 2/20 0.55
LMNA P02545 2/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 6/20 0.51
NPSR1 Q6W5P4 4/20 0.51
HTT P42858 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALOX12 P18054 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47

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
SCHEMBL11531301 0.80 GAA (0.59) GAAMGLLLMNARECQLALDH1A1
SCHEMBL3190624 0.78 ALDH1A1 (0.69) GAAALDH1A1NPSR1HTTL3MBTL1
SCHEMBL5463525 0.78 LMNA (0.81) GAALMNAALDH1A1NPSR1HTT
SCHEMBL11527812 0.77 GAA (0.65) GAAMGLLLMNARECQLALDH1A1
SCHEMBL3078247 0.77 RECQL (0.59) GAAMGLLLMNARECQLALDH1A1
SCHEMBL3072973 0.76 MGLL (0.65) GAAMGLLLMNARECQLALDH1A1
SCHEMBL11835849 0.76 MGLL (0.65) GAAMGLLLMNARECQLALDH1A1
SCHEMBL3065466 0.76 RECQL (0.67) GAAMGLLLMNARECQLALDH1A1
SCHEMBL5081872 0.76 ALDH1A1 (0.63) GAALMNAALDH1A1NPSR1HTT
SCHEMBL5320120 0.76 RECQL (0.62) GAAMGLLLMNARECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968297-B2 Thiourea group IV transition metal catalysts and polymerization systems DOW GLOBAL TECHNOLOGIES LLC (US) 2021-04-06 US disclosed
US-20190202950-A1 THIOUREA GROUP IV TRANSITION METAL CATALYSTS AND POLYMERIZATION SYSTEMS DOW GLOBAL TECHNOLOGIES LLC (US) 2019-07-04 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 (2 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-10968297-B2 Thiourea group IV transition metal catalysts and polymerization systems TTI1, TST, TTI2 GAA 2242/4885MGLL 3124/4885LMNA 4484/4885
US-20190202950-A1 THIOUREA GROUP IV TRANSITION METAL CATALYSTS AND POLYMERIZATION SYSTEMS TTI1, TST, TTI2 GAA 2242/4885MGLL 3124/4885LMNA 4484/4885

“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.