SCHEMBL951240

SCHEMBL951240

O=C(CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2)NC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.62
TP53 P04637 4/20 0.57
GAA P10253 2/20 0.56
ALDH1A1 P00352 3/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL949404 1.00 MAPT (0.62) MAPTTP53GAAALDH1A1HTT
SCHEMBL954028 0.98 MAPT (0.62) MAPTTP53GAAALDH1A1HTT
SCHEMBL951444 0.88 MAPT (0.58) MAPTTP53GAAALDH1A1HTT
SCHEMBL950727 0.86 MAPT (0.60) MAPTTP53GAAALDH1A1HTT
SCHEMBL949425 0.85 ALDH1A1 (0.56) MAPTTP53GAAALDH1A1HTT
SCHEMBL950066 0.82 MAPT (0.62) MAPTTP53GAAALDH1A1HTT
SCHEMBL950747 0.82 MAPT (0.62) MAPTTP53GAAALDH1A1HTT
SCHEMBL951200 0.82 MAPT (0.66) MAPTTP53GAAALDH1A1HTT
SCHEMBL8168687 0.82 MAPT (0.52) MAPTTP53GAAALDH1A1HTT
SCHEMBL4913775 0.81 MAPT (0.73) MAPTTP53GAAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS MARSHALL HOWARD ROBERT 2011-01-13 US claimed
US-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS MARSHALL HOWARD ROBERT 2011-01-13 US disclosed
US-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS MARSHALL HOWARD ROBERT 2011-01-13 US disclosed
US-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS MARSHALL HOWARD ROBERT 2011-01-13 US disclosed
WO-2008092879-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 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-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC18A2, SLC1A2, SLC1A1 MAPT 156/4885TP53 3854/4885GAA 218/4885

“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.