SCHEMBL7607582

SCHEMBL7607582

[CH2]CCC[CH]C(=O)Nc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 4/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
GSK3B P49841 1/20 0.47
HPGD P15428 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
EPHX1 P07099 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL29591698 0.77 KDM4E (0.62) KDM4EGAAMAPTNPC1RAB9A
SCHEMBL647157 0.77 KDM4E (0.62) KDM4EGAAMAPTNPC1RAB9A
SCHEMBL1600830 0.75 KDM4E (0.65) KDM4EGAAMAPTNPC1RAB9A
SCHEMBL11114285 0.75 KDM4E (0.65) KDM4EGAAMAPTNPC1RAB9A
SCHEMBL7615520 0.74 MEN1 (0.51) KDM4EGAAMAPTNPC1RAB9A
SCHEMBL11114287 0.73 MAPT (0.68) KDM4EGAAMAPTNPC1RAB9A
SCHEMBL9347143 0.73 KDM4E (0.62) KDM4EGAAMAPTNPC1RAB9A
SCHEMBL17186177 0.73 KDM4E (0.57) KDM4EGAAMAPTNPC1RAB9A
SCHEMBL4765694 0.71 KDM4E (0.69) KDM4EGAAMAPTNPC1RAB9A
SCHEMBL12359712 0.71 KDM4E (0.59) KDM4EGAAMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020198254-A1 Polyamide analogs GENELABS TECHNOLOGIES, INC. 2002-12-26 US claimed
WO-2002062755-A2 POLYAMIDE ANALOGS AS DNA MINOR GROOVE BINDERS GENELABS TECHNOLOGIES, INC. (US) 2002-08-15 WO claimed
US-20020198254-A1 Polyamide analogs GENELABS TECHNOLOGIES, INC. 2002-12-26 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-20020198254-A1 Polyamide analogs CYP51A1, HDAC6, ERG28 KDM4E 3634/4885GAA 8/4885MAPT 2074/4885

“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.