SCHEMBL4512973

SCHEMBL4512973

O=C(CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCOCC2)Nc1ccc(F)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.66
TP53 P04637 5/20 0.66
ALDH1A1 P00352 2/20 0.61
HTT P42858 1/20 0.61
GAA P10253 1/20 0.51
LMNA P02545 2/20 0.50
P2RX3 P56373 1/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4912077 0.91 MAPT (0.80) MAPTTP53ALDH1A1HTTGAA
SCHEMBL4521466 0.89 MAPT (0.66) MAPTTP53ALDH1A1HTTGAA
SCHEMBL4518107 0.88 MAPT (0.65) MAPTTP53ALDH1A1HTTGAA
SCHEMBL3214415 0.85 MAPT (0.61) MAPTTP53ALDH1A1HTTGAA
SCHEMBL3218362 0.85 MAPT (0.61) MAPTTP53ALDH1A1HTTGAA
SCHEMBL4498310 0.84 MAPT (0.65) MAPTTP53ALDH1A1HTTGAA
SCHEMBL8233489 0.83 MAPT (0.74) MAPTTP53ALDH1A1HTTGAA
SCHEMBL4508318 0.83 MAPT (0.64) MAPTTP53ALDH1A1HTTGAA
SCHEMBL3836841 0.82 MAPT (0.58) MAPTTP53ALDH1A1HTTGAA
SCHEMBL4220140 0.82 MAPT (0.73) MAPTTP53ALDH1A1HTTGAA

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-20090325993-A1 GLYT1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders AHMAD NADIA MAMOONA 2009-12-31 US claimed
US-20090325993-A1 GLYT1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders AHMAD NADIA MAMOONA 2009-12-31 US disclosed
US-20090325993-A1 GLYT1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders AHMAD NADIA MAMOONA 2009-12-31 US disclosed
US-20090325993-A1 GLYT1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders AHMAD NADIA MAMOONA 2009-12-31 US disclosed
WO-2008092877-A2 8-OXA-1, 4-DIAZASPIRO [4,5] DEC-3-EN-1-YL AND 1,4, 8-TRIAZASPIRO [4,5] DEC- 3-EN-1-YL ACETAMIDES AS GLYTI TRANSPORTER INHIBITORS 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-20090325993-A1 GLYT1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders SLC18A2, SLC1A2, SLC6A2 MAPT 92/4885TP53 3694/4885ALDH1A1 997/4885

“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.