SCHEMBL3449202

SCHEMBL3449202

COCCn1cc(Br)cc(C(=O)OC)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.47
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 1/20 0.40
LMNA P02545 1/20 0.39
BRD4 O60885 2/20 0.39
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3448265 0.88 BAZ2B (0.46) SMN1; SMN2CNR1CNR2KDM4EALDH1A1
SCHEMBL19768920 0.84 BRD4 (0.55) SMN1; SMN2CNR1CNR2CYP1A2CYP2C9
SCHEMBL3450711 0.82 MAPT (0.42) SMN1; SMN2CNR1CNR2CYP1A2CYP2C9
SCHEMBL3378730 0.79 SMN1; SMN2 (0.67) SMN1; SMN2CNR1CNR2CYP1A2CYP2C9
SCHEMBL30838384 0.79 BRD4 (0.41) SMN1; SMN2CNR1CNR2CYP1A2CYP2C9
SCHEMBL2710900 0.79 BRD4 (0.51) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL30838207 0.78 CNR2 (0.45) SMN1; SMN2CNR1CNR2CYP1A2CYP2C9
SCHEMBL20709919 0.77 ALDH1A1 (0.43) SMN1; SMN2CNR1CNR2ALDH1A1BRD4
SCHEMBL18584511 0.77 ADRA1D (0.54) SMN1; SMN2CNR1CNR2KDM4EMAPT
SCHEMBL3448930 0.76 SMN1; SMN2 (0.51) SMN1; SMN2CNR1CNR2CYP1A2CYP2C9

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 SMN1; SMN2 3328/4885CNR1 653/4885CNR2 517/4885

“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.