SCHEMBL8568248

SCHEMBL8568248

CN(C)C(=O)Cn1ccc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
GRIN2B Q13224 4/20 0.52
CDK4 P11802 4/20 0.52
CCND1 P24385 4/20 0.52
LMNA P02545 1/20 0.51
MAPK1 P28482 2/20 0.51
NTSR1 P30989 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
MGLL Q99685 1/20 0.46
NOTUM Q6P988 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
SCHEMBL8530694 0.84 KMT2A (0.58) KMT2AHTR2AHTR2CCDK4CCND1
SCHEMBL2404374 0.82 KMT2A (0.55) KMT2AHTR2AHTR2CGRIN2BCDK4
SCHEMBL9701534 0.81 KMT2A (0.71) KMT2AHTR2AHTR2CCDK4CCND1
SCHEMBL30074152 0.81 KMT2A (0.71) KMT2AHTR2AHTR2CCDK4CCND1
SCHEMBL12605548 0.80 KMT2A (0.59) KMT2AHTR2AHTR2CCDK4CCND1
SCHEMBL6192195 0.79 HDAC8 (0.58) KMT2AHTR2AHTR2CCDK4CCND1
SCHEMBL13315361 0.79 KMT2A (0.55) KMT2AHTR2AHTR2CCDK4CCND1
SCHEMBL29420405 0.79 KMT2A (1.00) KMT2ACDK4CCND1LMNAMAPK1
SCHEMBL1598786 0.79 KMT2A (1.00) KMT2ACDK4CCND1LMNAMAPK1
SCHEMBL3354522 0.78 GRIN2B (0.45) GRIN2BNTSR1

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA CORPORATION 2021-10-28 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-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS TPH2, AANAT, HTR2C KMT2A 542/4885HTR2A 5/4885HTR2C 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.