SCHEMBL6405890

SCHEMBL6405890

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 2/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.53
TACR1 P25103 5/20 0.48
MRGPRX1 Q96LB2 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ATM Q13315 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
SCHEMBL6409991 0.88 PKM (0.56) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL6407018 0.74 TACR1 (0.56) KMT2AMEN1TACR1MAPT
SCHEMBL6409563 0.74 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL6410627 0.74 TACR1 (0.53) TACR1
SCHEMBL4487177 0.72 TACR1 (0.55) KMT2AALDH1A1TACR1
SCHEMBL6408396 0.71 TACR1 (0.53) TACR1
SCHEMBL6410854 0.70 TACR1 (0.55) TACR1
SCHEMBL6408869 0.70 TACR1 (0.85) TACR1
SCHEMBL4481859 0.69 TACR1 (0.48) ALDH1A1KDM4ETACR1MAPTL3MBTL1
SCHEMBL6411909 0.68 TACR1 (0.67) KMT2AMEN1TACR1MAPT

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 KMT2A 2257/4885MEN1 2432/4885ALDH1A1 1984/4885

“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.