SCHEMBL6409991

SCHEMBL6409991

COc1ccccc1NC(=O)N1CCC(=O)C(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.56
MAPK1 P28482 1/20 0.56
TACR1 P25103 6/20 0.54
KDM4E B2RXH2 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
GRIN2B Q13224 1/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.46
TP53 P04637 1/20 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
SCHEMBL6405890 0.88 KMT2A (0.58) TACR1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL4487177 0.76 TACR1 (0.55) TACR1KMT2AALDH1A1
SCHEMBL28275012 0.75 KDM4E (0.88) PKMMAPK1KDM4ETDP1SMN1; SMN2
SCHEMBL6407018 0.75 TACR1 (0.56) TACR1MEN1KMT2AMAPTTSHR
SCHEMBL6410854 0.73 TACR1 (0.55) TACR1TDP1
SCHEMBL13185834 0.73 KDM4E (0.73) PKMMAPK1KDM4ETDP1SMN1; SMN2
SCHEMBL4481859 0.72 TACR1 (0.48) PKMMAPK1TACR1KDM4EL3MBTL1
SCHEMBL6408396 0.72 TACR1 (0.53) TACR1
SCHEMBL16178733 0.72 PKM (0.64) PKMMAPK1KDM4ETDP1SMN1; SMN2
SCHEMBL5194437 0.72 PKM (0.97) PKMMAPK1KDM4ETDP1SMN1; 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-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-02-17 US disclosed
EP-1460062-A1 NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use BDKRB1, BDKRB2, TACR1 PKM 467/4885MAPK1 696/4885TACR1 3/4885

“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.