SCHEMBL3449727

SCHEMBL3449727

Cc1c(Br)cn(CCN2CCOCC2)c(=O)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.40
HBB P68871 1/20 0.40
LMNA P02545 2/20 0.40
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MPI P34949 1/20 0.39
MEN1 O00255 1/20 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
SCHEMBL3450024 0.80 SMN1; SMN2 (0.47) SMN1; SMN2CNR1CNR2TSHRCYP2C19
SCHEMBL3449664 0.75 MKNK1 (0.39) SMN1; SMN2CNR1CNR2CYP1A2CYP2D6
SCHEMBL3343275 0.75 CNR2 (0.65) SMN1; SMN2CNR1CNR2TSHRCYP1A2
SCHEMBL3449342 0.73 LMNA (0.51) SMN1; SMN2CNR1TSHRCYP1A2CYP2D6
SCHEMBL3378730 0.68 SMN1; SMN2 (0.67) SMN1; SMN2CNR1CNR2TSHRCYP1A2
SCHEMBL4250096 0.68 ALDH1A1 (0.52) SMN1; SMN2LMNAKMT2AALDH1A1MAPT
SCHEMBL19172634 0.67 SMN1; SMN2 (0.47) SMN1; SMN2CNR1CNR2TSHRPOLB
SCHEMBL3348287 0.66 CNR2 (0.43) SMN1; SMN2CNR1CNR2CYP2C19LMNA
SCHEMBL19959641 0.65 POLB (0.47) SMN1; SMN2TSHRPOLBKMT2AALDH1A1
SCHEMBL4639541 0.65 MEN1 (0.49) CNR1CNR2POLBKMT2AMEN1

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 1 patent. 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

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.