SCHEMBL3894485

SCHEMBL3894485

CN(CCOc1ccccc1Br)Cc1ccccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.59
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PYCR1 P32322 2/20 0.47
UTS2R Q9UKP6 1/20 0.46
CARM1 Q86X55 6/20 0.45
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PRMT1 Q99873 4/20 0.42
CHRM2 P08172 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
PRMT3 O60678 1/20 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
SCHEMBL8387461 0.84 SLC6A2 (0.57) PYCR1CARM1SLC6A2SLC6A4SLC6A3
SCHEMBL3894438 0.81 LMNA (0.68) HTR7LMNAGAASMN1; SMN2CARM1
SCHEMBL3888894 0.80 LMNA (0.86) HTR7LMNAGAASMN1; SMN2CARM1
SCHEMBL1857526 0.75 HTR7 (1.00) HTR7LMNASMN1; SMN2UTS2RHTR1B
SCHEMBL8387692 0.73 CHRM2 (0.52) HTR7CARM1HTR1DHTR1BSLC6A2
SCHEMBL3887922 0.72 LMNA (0.64) HTR7LMNAGAASMN1; SMN2HTR1D
SCHEMBL8388817 0.72 CARM1 (0.43) CARM1HTR1DHTR1BSLC6A2SLC6A4
SCHEMBL15308497 0.72 PYCR1 (0.61) PYCR1CARM1SLC6A2SLC6A4SLC6A3
SCHEMBL11260050 0.71 TAAR1 (0.62) HTR7HTR1BTAAR1DRD2DRD1
SCHEMBL8699263 0.71 PYCR1 (0.59) PYCR1CARM1SLC6A2SLC6A4SLC6A3

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 HTR7 3100/4885LMNA 3926/4885GAA 2775/4885
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 RELA, NFKBIA, CHUK HTR7 2954/4885LMNA 3426/4885GAA 3262/4885

“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.