SCHEMBL6310970

SCHEMBL6310970

Cc1ccccc1C1NC(=O)CCC1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.42
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
EPHX2 P34913 1/20 0.40
KMT2A Q03164 2/20 0.39
ATM Q13315 2/20 0.39
MEN1 O00255 1/20 0.39
BTK Q06187 1/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
IDO1 P14902 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 2/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL6310972 1.00 BRD9 (0.42) BRD9KDM1AMAOBDDB1CRBN
SCHEMBL6310980 1.00 BRD9 (0.42) BRD9KDM1AMAOBDDB1CRBN
SCHEMBL6814816 0.86 KDM1A (0.50) BRD9KDM1AMAOBEPHX2KMT2A
SCHEMBL5747737 0.82 KDM1A (0.43) BRD9KDM1AMAOBEPHX2KMT2A
SCHEMBL9944426 0.80 NTRK1 (0.40) KDM1ANFKB1NFKB2RELA
SCHEMBL6310438 0.80 KDM1A (0.41) BRD9KDM1AMAOBEPHX2KMT2A
SCHEMBL24213074 0.76 GAA (0.43) BRD9KDM1AMAOBEPHX2KMT2A
SCHEMBL21057934 0.76 ALDH1A1 (0.43) MAOBDDB1CRBNL3MBTL1GAA
SCHEMBL21138973 0.74 ALDH1A1 (0.40) DDB1CRBNEPHX2KMT2AMEN1
SCHEMBL21104024 0.74 ALDH1A1 (0.40) DDB1CRBNEPHX2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 BRD9 3734/4885KDM1A 1794/4885MAOB 1849/4885

“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.