SCHEMBL243978

SCHEMBL243978

O=C1NC2(CCCCC2)C(=O)N1c1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
AR P10275 3/20 0.53
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MGLL Q99685 1/20 0.49
ALDH1A1 P00352 2/20 0.46
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX5 P09917 1/20 0.43
FPR2 P25090 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE7A Q13946 2/20 0.40

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
SCHEMBL3956206 0.81 POLB (0.73) POLBARRAB9ANPC1KMT2A
SCHEMBL3960645 0.80 POLB (0.71) POLBARRAB9ANPC1KMT2A
SCHEMBL13879402 0.79 AR (0.53) POLBARRAB9ANPC1KMT2A
SCHEMBL13879542 0.76 POLB (0.65) POLBARRAB9ANPC1KMT2A
SCHEMBL242738 0.72 ALDH1A1 (0.51) KMT2AMEN1MGLLALDH1A1ATM
SCHEMBL240825 0.72 POLB (0.73) POLBARRAB9ANPC1KMT2A
SCHEMBL244172 0.71 AR (0.64) POLBARRAB9ANPC1KMT2A
SCHEMBL31277323 0.71 USP30 (0.49) KMT2AMEN1ALDH1A1
SCHEMBL27332238 0.71 USP30 (0.49) KMT2AMEN1ALDH1A1
SCHEMBL21151326 0.71 HTT (0.50) POLBARKMT2AMEN1MGLL

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-20120004273-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS AHMAD NADIA MAMOONA (GB) 2012-01-05 US disclosed
US-20120004273-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS AHMAD NADIA MAMOONA (GB) 2012-01-05 US disclosed
US-20120004273-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS AHMAD NADIA MAMOONA (GB) 2012-01-05 US disclosed
EP-2121624-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP disclosed
WO-2008092878-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-20120004273-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC1A2, SLC1A1, SLC18A2 POLB 4061/4885AR 1477/4885RAB9A 1583/4885

“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.