SCHEMBL3886322

SCHEMBL3886322

Brc1ccccc1OC1CCN(Cc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.54
UTS2R Q9UKP6 1/20 0.48
SCN8A Q9UQD0 1/20 0.46
BCHE P06276 3/20 0.46
ACHE P22303 3/20 0.46
BACE1 P56817 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL3892467 0.91 MCHR1 (0.50) MCHR1SMN1; SMN2SCN8ABCHEACHE
SCHEMBL17456055 0.87 MCHR1 (0.53) MCHR1SMN1; SMN2UTS2RSCN8ABCHE
SCHEMBL10608988 0.83 MEN1 (0.59) MCHR1SMN1; SMN2BCHEACHEBACE1
SCHEMBL10608615 0.83 MCHR1 (0.59) MCHR1SMN1; SMN2SCN8ABCHEACHE
SCHEMBL1926800 0.83 ALDH1A1 (0.46) MCHR1SMN1; SMN2UTS2RHRH3KMT2A
SCHEMBL1926914 0.82 LMNA (0.42) MCHR1SMN1; SMN2UTS2RKMT2AALDH1A1
SCHEMBL6959511 0.81 MCHR1 (0.66) MCHR1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10606808 0.81 MCHR1 (0.60) MCHR1SMN1; SMN2SCN8ABCHEACHE
SCHEMBL10607853 0.81 MCHR1 (0.57) MCHR1SMN1; SMN2ACHEMEN1KMT2A
SCHEMBL10607825 0.81 HRH3 (0.62) MCHR1SMN1; SMN2BCHEACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215829-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 MORLEY ANDREW DAVID 2009-08-27 US disclosed
US-7553868-B2 Thiophene carboxamides as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2009-06-30 US disclosed
EP-1583756-B9 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2008-01-09 EP disclosed
EP-1583756-B1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2007-10-03 EP disclosed
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 ASTRAZENECA AB (SE) 2006-05-25 US disclosed
EP-1583756-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2005-10-12 EP disclosed
WO-2004063185-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-07-29 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 (2 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-20090215829-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 RELA, NFKBIA, CSNK1E MCHR1 4214/4885SMN1; SMN2 3385/4885UTS2R 2562/4885
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 RELA, NFKBIA, CHUK MCHR1 4271/4885SMN1; SMN2 3382/4885UTS2R 2231/4885

“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.