SCHEMBL3313338

SCHEMBL3313338

COCc1ccc(C(N)C(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ACACB O00763 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
IDO1 P14902 2/20 0.39
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
F2 P00734 1/20 0.36
PARP10 Q53GL7 1/20 0.36
LNPEP Q9UIQ6 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL5327902 0.86 CYP2C9 (0.43) LMNATP53ESR1CXCR1CXCR2
SCHEMBL3309903 0.84 ESR1 (0.49) LMNATP53ACACBESR1ESR2
SCHEMBL3314146 0.81 ESR1 (0.40) LMNATP53ACACBESR1ESR2
SCHEMBL7040762 0.77 EPHX1 (0.43) EPHX1F2
SCHEMBL8139642 0.77 EPHX1 (0.43) EPHX1F2ALOX5
SCHEMBL4533995 0.77 IDO1 (0.47) LMNATP53ACACBESR1ESR2
SCHEMBL13683339 0.76 EPHX1 (0.42) EPHX1LMNAESR1CXCR1CXCR2
SCHEMBL1354444 0.76 CA1 (0.53) EPHX1CYP1A2CYP2D6CYP2C19PARP10
SCHEMBL2879870 0.76 CA1 (0.53) EPHX1CYP1A2CYP2D6CYP2C19PARP10
SCHEMBL1115061 0.76 CA1 (0.53) EPHX1CYP1A2CYP2D6CYP2C19PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS COULTON STEVEN 2010-05-06 US disclosed
US-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS COULTON STEVEN 2010-05-06 US disclosed
US-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS COULTON STEVEN 2010-05-06 US disclosed
EP-2121622-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP disclosed
WO-2008092872-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed
WO-2008092872-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-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC18A2, SLC6A5, SLC6A2 EPHX1 1932/4885LMNA 4802/4885TP53 3568/4885

“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.