SCHEMBL7018985

SCHEMBL7018985

O=C(O)/C=C/c1ccc(CCCn2c(=O)sc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
HTT P42858 2/20 0.53
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SIGMAR1 Q99720 2/20 0.48
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL7018990 1.00 L3MBTL1 (0.53) L3MBTL1HTTNPC1CYP1A2CYP3A4
SCHEMBL7022286 0.82 L3MBTL1 (0.71) L3MBTL1HTTNPC1CYP1A2CYP3A4
SCHEMBL6476872 0.81 RAB9A (0.70) L3MBTL1HTTNPC1CYP1A2CYP3A4
SCHEMBL6476868 0.81 RAB9A (0.70) L3MBTL1HTTNPC1CYP1A2CYP3A4
SCHEMBL7017531 0.77 ALDH1A1 (0.59) RAB9ASMN1; SMN2
SCHEMBL7017529 0.77 ALDH1A1 (0.59) RAB9ASMN1; SMN2
SCHEMBL7440654 0.76 L3MBTL1 (0.73) L3MBTL1HTTNPC1CYP1A2CYP3A4
SCHEMBL3105298 0.74 HDAC1 (0.62) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL3105287 0.74 HDAC1 (0.62) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL3688787 0.74 HDAC1 (0.62) HTTPKM

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
EP-1252150-B1 HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2003-06-04 EP claimed
US-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2003-02-27 US claimed

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 L3MBTL1 4870/4885HTT 2340/4885NPC1 1716/4885

“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.