SCHEMBL513805

SCHEMBL513805

CCC(CC)(c1csc(-c2ccccc2)n1)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGDS O60760 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
SCHEMBL514099 0.79 NTMT1 (0.41) KDM4EHPGDSMN1; SMN2MAPTMEN1
SCHEMBL513433 0.76 TSHR (0.36) KDM4EHPGDSMN1; SMN2MAPTMEN1
SCHEMBL24769779 0.73 KDM4E (0.47) KDM4EHPGDHDAC1HDAC8HDAC6
SCHEMBL515676 0.72 ALDH1A1 (0.45) HPGDSMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL5010542 0.72 PGK1 (0.53) MEN1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL10025209 0.72 SREBF2 (0.54) KDM4EHPGDHDAC1HDAC8HDAC6
SCHEMBL3728511 0.71 PTPN5 (0.41) HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL10475844 0.69 KDM4E (0.55) KDM4EHPGDSMN1; SMN2MAPTMAPK1
SCHEMBL2083581 0.69 KDM4E (0.49) KDM4EHPGDHDAC1HDAC8HDAC6
SCHEMBL4183766 0.68 FDPS (0.46) SMN1; SMN2MEN1ALDH1A1KMT2A

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 KDM4E 3490/4885HPGD 1718/4885HDAC1 1703/4885

“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.