SCHEMBL1928044

SCHEMBL1928044

Fc1ccc(COc2ccccc2Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
ALDH1A1 P00352 4/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 5/20 0.51
HPGD P15428 2/20 0.51
ATM Q13315 1/20 0.51
KMT2A Q03164 4/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 2/20 0.50
TRPV6 Q9H1D0 1/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
LMNA P02545 3/20 0.49
STAT3 P40763 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
HTR1A P08908 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
SCHEMBL29414783 0.86 MAPT (0.59) MAOBALDH1A1MAPTHPGDATM
SCHEMBL1081189 0.86 MAPT (0.59) MAOBALDH1A1MAPTHPGDATM
SCHEMBL1513408 0.84 MAPT (0.57) MAOBALDH1A1MAPTHPGDATM
SCHEMBL1928825 0.83 MAPT (0.54) ALDH1A1MAPTHPGDATMKMT2A
SCHEMBL19140088 0.83 MAPT (0.52) MAOBALDH1A1MAPTHPGDATM
SCHEMBL25205765 0.83 RAB9A (0.52) MAOBALDH1A1MAPTHPGDATM
SCHEMBL1928203 0.83 HTR7 (0.51) ALDH1A1MAPTHPGDKMT2ARAB9A
SCHEMBL28337440 0.82 MAOB (0.58) MAOBALDH1A1MAPTKMT2ARAB9A
Formaldehyde SCHEMBL27880496 0.81 MAPT (0.54) ALDH1A1MAPTHPGDATMKMT2A
SCHEMBL2113202 0.80 PKM (0.57) MAOBPKMMAPTHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
CN-1263751-C Novel compounds ASTRAZENECA AB (SE) 2006-07-12 CN disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
CN-1541214-A Novel compounds 2004-10-27 CN disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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 (3 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 MAOB 577/4885ALDH1A1 229/4885PKM 1626/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 MAOB 852/4885ALDH1A1 52/4885PKM 1676/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 MAOB 577/4885ALDH1A1 229/4885PKM 1626/4885

“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.