SCHEMBL6483700

SCHEMBL6483700

O=C(O)C(=Cc1ccc(OCCn2c(=O)oc3cccnc32)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 5/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GLO1 Q04760 1/20 0.36
TBXAS1 P24557 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
PLA2G4A P47712 1/20 0.35

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
SCHEMBL6477256 0.85 KDM4E (0.47) KDM4EALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL7019446 0.84 RAB9A (0.61) ALDH1A1RAB9ATSHRSMN1; SMN2L3MBTL1
SCHEMBL6475944 0.80 KDM4E (0.43) KDM4EALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL6477711 0.75 SIGMAR1 (0.56) KDM4EALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL6475861 0.75 MTNR1A (0.47) TBXAS1TP53
SCHEMBL6476696 0.75 PPARG (0.48) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL6475863 0.71 L3MBTL1 (0.57) ALDH1A1RAB9ATSHRSMN1; SMN2L3MBTL1
SCHEMBL9588299 0.69 KDM4E (0.58) KDM4EALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL9647620 0.69 KDM4E (0.58) KDM4EALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL9589803 0.69 KDM4E (0.58) KDM4EALDH1A1RAB9ATSHRSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919362-B2 Heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2005-07-19 US disclosed
US-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2003-02-27 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-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same CYP2F1, CYP11B2, CYP4B1 KDM4E 3486/4885ALDH1A1 687/4885RAB9A 3361/4885

“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.