SCHEMBL3448024

SCHEMBL3448024

O=C(O)C1CCCCN1c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
GRK2 P25098 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL3 Q96JM7 4/20 0.42
L3MBTL4 Q8NA19 1/20 0.42
MBTD1 Q05BQ5 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40
ALOX5 P09917 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL3450033 0.96 SMN1; SMN2 (0.43) HPGDL3MBTL1GRK2CASP6CASP8
SCHEMBL3450292 0.96 SMN1; SMN2 (0.43) HPGDL3MBTL1GRK2CASP6CASP8
SCHEMBL11985529 0.96 SMN1; SMN2 (0.43) HPGDL3MBTL1GRK2CASP6CASP8
SCHEMBL3452265 0.84 ALDH1A1 (0.43) HPGDL3MBTL1L3MBTL3L3MBTL4TP53
SCHEMBL13603832 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1
SCHEMBL8104378 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1
SCHEMBL6502072 0.83 NOTUM (0.53) HPGDSMN1; SMN2TP53MAPTHSD11B1
SCHEMBL11983632 0.83 L3MBTL1 (0.43) HPGDL3MBTL1L3MBTL3L3MBTL4MBTD1
SCHEMBL22798963 0.82 BRS3 (0.44) HPGDL3MBTL1L3MBTL3SMN1; SMN2MAPT
SCHEMBL27379472 0.81 ALOX5 (0.44) SMN1; SMN2ALOX5MAPTHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD HPGD 29/4885L3MBTL1 4616/4885GRK2 3834/4885

“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.