SCHEMBL6089980

SCHEMBL6089980

Oc1cc(Nc2ccc(Cl)c(Cl)c2)c2cccc(Br)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
SLC2A1 P11166 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
NPY5R Q15761 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
LMNA P02545 1/20 0.36
EGFR P00533 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR3 Q99500 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
POLA1 P09884 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL6086853 0.87 GAA (0.50) GAAMAPTSLC2A1MEN1KMT2A
SCHEMBL6088154 0.85 SLC2A1 (0.40) GAAMAPTSLC2A1MEN1KMT2A
SCHEMBL6235222 0.83 GAA (0.47) GAAMAPTSLC2A1MEN1KMT2A
SCHEMBL6231003 0.81 GAA (0.48) GAAMAPTSLC2A1MEN1KMT2A
SCHEMBL6238034 0.81 GAA (0.45) GAAMAPTSLC2A1MEN1KMT2A
SCHEMBL6089056 0.81 MAPT (0.46) GAAMAPTMEN1KMT2ATP53
SCHEMBL5754042 0.80 NPY5R (0.47) GAAMAPTSLC2A1MEN1KMT2A
SCHEMBL6088380 0.79 NPY5R (0.54) MAPTSLC2A1MEN1KMT2APOLB
SCHEMBL6233025 0.78 MAPT (0.42) GAAMAPTSLC2A1MEN1KMT2A
SCHEMBL6235371 0.78 MAPT (0.42) GAAMAPTSLC2A1MEN1KMT2A

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-7153865-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2006-12-26 US disclosed
WO-2006064286-A1 CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2006-06-22 WO disclosed
US-20050131020-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2005-06-16 US disclosed
EP-1430030-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
EP-1430030-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2004-06-23 EP disclosed
WO-2003018561-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2003-03-06 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-20050131020-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A GAA 4454/4885MAPT 2489/4885SLC2A1 3968/4885

“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.