SCHEMBL3449342

SCHEMBL3449342

Cc1c(Br)cnc(NCCN2CCOCC2)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP3A4 P08684 5/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CHRM1 P11229 1/20 0.46
CNR1 P21554 1/20 0.46
ACHE P22303 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPK1 P28482 1/20 0.45
HBB P68871 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL3449344 0.75 TSHR (0.48) LMNAKDM4EHTTSMN1; SMN2CYP3A4
SCHEMBL10488441 0.74 LMNA (0.47) LMNAKDM4EHTTSMN1; SMN2CYP3A4
SCHEMBL3449727 0.73 SMN1; SMN2 (0.55) LMNASMN1; SMN2CYP1A2CYP2D6CNR1
SCHEMBL7459174 0.72 LMNA (0.48) LMNAKDM4EHTTSMN1; SMN2CYP3A4
SCHEMBL3344759 0.72 RXFP1 (0.52) LMNAKDM4ESMN1; SMN2CYP3A4CYP1A2
SCHEMBL20154914 0.71 TLR8 (0.45) LMNAKDM4ECYP3A4CYP1A2CYP2D6
SCHEMBL3448525 0.71 CXCR4 (0.50) LMNAKDM4ESMN1; SMN2CYP3A4CYP1A2
SCHEMBL5479118 0.69 CYP3A4 (0.45) LMNAKDM4EHTTSMN1; SMN2CYP3A4
SCHEMBL18172301 0.69 PIM1 (0.44) LMNACYP3A4CYP1A2CYP2D6TDP1
SCHEMBL4062438 0.69 CYP3A4 (0.54) LMNAKDM4ESMN1; SMN2CYP3A4CYP1A2

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 LMNA 1717/4885KDM4E 3882/4885HTT 3861/4885

“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.