SCHEMBL6476872

SCHEMBL6476872

O=C(O)C=Cc1ccc(OCCn2c(=O)sc3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.70
NPC1 O15118 6/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
TSHR P16473 4/20 0.70
MAPK1 P28482 3/20 0.70
ALDH1A1 P00352 3/20 0.70
L3MBTL1 Q9Y468 7/20 0.64
TP53 P04637 1/20 0.64
LMNA P02545 1/20 0.64
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
TDP1 Q9NUW8 4/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.52
GAA P10253 1/20 0.52
TBXAS1 P24557 2/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL6476868 1.00 RAB9A (0.70) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL7023628 0.86 PPARG (0.64) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL7023625 0.86 PPARG (0.64) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL6487303 0.84 RAB9A (0.70) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL6476021 0.83 RAB9A (0.76) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL7018985 0.81 L3MBTL1 (0.53) RAB9ANPC1SMN1; SMN2L3MBTL1CYP3A4
SCHEMBL7018990 0.81 L3MBTL1 (0.53) RAB9ANPC1SMN1; SMN2L3MBTL1CYP3A4
SCHEMBL6477124 0.80 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL6477136 0.79 RAB9A (0.63) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL7019578 0.79 RAB9A (0.70) RAB9ANPC1SMN1; SMN2TSHRMAPK1

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 RAB9A 3361/4885NPC1 1716/4885SMN1; SMN2 1823/4885

“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.