SCHEMBL3886574

SCHEMBL3886574

Brc1ccccc1OCCNCc1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.86
KMT2A Q03164 4/20 0.86
KDM4E B2RXH2 4/20 0.86
DRD4 P21917 8/20 0.67
DRD2 P14416 6/20 0.67
DRD3 P35462 6/20 0.67
LMNA P02545 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HTR6 P50406 1/20 0.53
POLB P06746 1/20 0.53
KCNH2 Q12809 1/20 0.53
PPARG P37231 1/20 0.53
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL3896962 0.95 KMT2A (0.78) MEN1KMT2AKDM4EDRD4DRD2
SCHEMBL3886658 0.89 MEN1 (0.70) MEN1KMT2AKDM4EDRD4DRD2
SCHEMBL3899010 0.88 MEN1 (0.68) MEN1KMT2AKDM4EDRD4DRD2
SCHEMBL11701339 0.88 DRD4 (0.77) MEN1KMT2AKDM4EDRD4DRD2
SCHEMBL3888917 0.84 KDM4E (0.64) MEN1KMT2AKDM4EDRD4DRD2
SCHEMBL11148020 0.81 HTR1A (0.73) MEN1KMT2AKDM4EDRD4DRD2
SCHEMBL2909008 0.80 HTR1A (0.74) MEN1KMT2AKDM4EDRD4DRD2
SCHEMBL8008739 0.80 DRD4 (0.67) MEN1KMT2AKDM4EDRD4DRD2
SCHEMBL11284208 0.80 DRD4 (0.67) MEN1KMT2AKDM4EDRD4DRD2
SCHEMBL10773033 0.80 DRD4 (1.00) MEN1KMT2AKDM4EDRD4DRD2

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 MEN1 4523/4885KMT2A 270/4885KDM4E 343/4885
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 RELA, NFKBIA, CHUK MEN1 4269/4885KMT2A 544/4885KDM4E 550/4885

“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.