SCHEMBL513313

SCHEMBL513313

COc1ccc(Cn2nc(-c3cccs3)cc2CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.42
ESR1 P03372 1/20 0.42
MYC P01106 1/20 0.42
MAX P61244 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL514454 0.80 SLC16A3 (0.45) SMN1; SMN2MEN1KMT2ALMNAESR1
SCHEMBL24038948 0.79 MAPT (0.56) SMN1; SMN2MEN1KMT2ALMNAPOLB
SCHEMBL13425461 0.77 MEN1 (0.53) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL20600283 0.77 MAPK14 (0.47) SMN1; SMN2MEN1KMT2AMAPTCYP1A2
SCHEMBL22613652 0.77 MAPT (0.44) SMN1; SMN2MEN1KMT2ALMNAPOLB
SCHEMBL4683641 0.76 NPBWR1 (0.47) SMN1; SMN2MAPT
SCHEMBL15638530 0.76 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL513268 0.75 SLC16A3 (0.42) SMN1; SMN2MEN1KMT2ALMNAESR1
SCHEMBL24828268 0.75 CYP11B1 (0.41) MAPTALDH1A1KDM4E
SCHEMBL10475753 0.74 NPC1 (0.45) SMN1; SMN2MEN1KMT2ALMNAESR1

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 411/4885MEN1 483/4885KMT2A 3004/4885

“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.