SCHEMBL513238

SCHEMBL513238

CCC(CC)(c1cc(-c2cccs2)n(Cc2ccc(OC)cc2)n1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC16A3 O15427 3/20 0.41
SLC16A1 P53985 3/20 0.41
MCTS1 Q9ULC4 1/20 0.41
PTGS2 P35354 1/20 0.40
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 3/20 0.36

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
SCHEMBL513766 0.78 ALDH1A1 (0.40) SMN1; SMN2LMNAMEN1KMT2ASLC16A3
SCHEMBL514454 0.77 SLC16A3 (0.45) SMN1; SMN2LMNAMEN1ESR1KMT2A
SCHEMBL513268 0.75 SLC16A3 (0.42) SMN1; SMN2LMNAMEN1ESR1KMT2A
SCHEMBL513313 0.68 SMN1; SMN2 (0.42) SMN1; SMN2LMNAMEN1ESR1KMT2A
SCHEMBL24038948 0.67 MAPT (0.56) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL512797 0.67 KDM4E (0.47) SMN1; SMN2LMNAMEN1ESR1KMT2A
SCHEMBL27946641 0.64 NR1H4 (0.42) SMN1; SMN2LMNAMEN1ESR1KMT2A
SCHEMBL514009 0.64 HDAC1 (0.48) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL27929320 0.64 LMNA (0.43) SMN1; SMN2LMNAMEN1ESR1KMT2A
SCHEMBL27929301 0.63 SMN1; SMN2 (0.40) SMN1; SMN2LMNAMEN1ESR1KMT2A

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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 SMN1; SMN2 411/4885LMNA 1601/4885MEN1 483/4885

“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.