SCHEMBL20339296

SCHEMBL20339296

O=C1CNC(=S)N1Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.73
MEN1 O00255 3/20 0.73
GSK3A P49840 4/20 0.72
GSK3B P49841 4/20 0.72
GAA P10253 3/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
POLB P06746 2/20 0.68
ALDH1A1 P00352 2/20 0.55
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
ELANE P08246 1/20 0.50
CTSG P08311 1/20 0.50
CMA1 P23946 1/20 0.50
CTRC Q99895 1/20 0.50
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
MGLL Q99685 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 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
SCHEMBL3318940 0.84 GSK3A (1.00) KMT2AMEN1GSK3AGSK3BGAA
SCHEMBL8067152 0.83 KMT2A (0.74) KMT2AMEN1GSK3AGSK3BGAA
SCHEMBL20339360 0.83 ALDH1A1 (0.73) KMT2AMEN1GSK3AGSK3BGAA
SCHEMBL10559302 0.78 GSK3A (0.70) KMT2AMEN1GSK3AGSK3BPOLB
SCHEMBL4658933 0.77 GSK3A (0.69) KMT2AMEN1GSK3AGSK3BGAA
SCHEMBL21359663 0.77 KMT2A (1.00) KMT2AMEN1GSK3AGSK3BGAA
SCHEMBL2085483 0.74 GSK3A (0.69) KMT2AMEN1GSK3AGSK3BSMN1; SMN2
SCHEMBL8662631 0.73 KMT2A (0.75) KMT2AMEN1GSK3AGSK3BGAA
SCHEMBL4013109 0.73 CMA1 (0.62) KMT2AMEN1GAASMN1; SMN2POLB
Hydantoin SCHEMBL4914979 0.73 GSK3A (0.77) KMT2AMEN1GSK3AGSK3BGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 US disclosed
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 US disclosed
WO-2018126072-A1 HETEROCYCLIC INTEGRIN AGONISTS ADHAERE PHARMACEUTICALS, INC. (US) 2018-07-05 WO disclosed
WO-2018126072-A1 HETEROCYCLIC INTEGRIN AGONISTS ADHAERE PHARMACEUTICALS, INC. (US) 2018-07-05 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-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS ITGA1, ITGA4, ITGA2 KMT2A 2000/4885MEN1 3711/4885GSK3A 2812/4885

“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.