SCHEMBL13073166

SCHEMBL13073166

CCCCNNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C(N)CC

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.81
ALDH1A1 P00352 1/20 0.81
CYP1A2 P05177 1/20 0.81
CYP3A4 P08684 1/20 0.81
CYP2D6 P10635 1/20 0.81
TDP1 Q9NUW8 1/20 0.81
PKM P14618 1/20 0.48
ACE P12821 3/20 0.43

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
SCHEMBL12648391 1.00 KDM4E (0.81) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5568508 0.89 KDM4E (1.00) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29440105 0.89 KDM4E (1.00) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6244780 0.89 KDM4E (1.00) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6243643 0.85 KDM4E (0.88) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6243641 0.85 KDM4E (0.88) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6274622 0.83 KDM4E (0.74) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6274619 0.83 KDM4E (0.74) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5568546 0.82 KDM4E (0.80) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7042292 0.82 KDM4E (0.80) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 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-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS KDM4E 3796/4885ALDH1A1 4064/4885CYP1A2 4648/4885

“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.