SCHEMBL23175705

SCHEMBL23175705

CN1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)C3)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
SMYD3 Q9H7B4 9/20 0.54
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
NAMPT P43490 2/20 0.50
CRBN Q96SW2 1/20 0.50
EPHX2 P34913 1/20 0.48
RAD52 P43351 1/20 0.48
POLB P06746 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA1A P35348 1/20 0.47
DRD3 P35462 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
SCHEMBL29899620 0.83 SMYD3 (0.54) SMYD3
SCHEMBL23143521 0.83 SMYD3 (0.54) SMYD3
SCHEMBL29528307 0.80 SMYD3 (0.59) HDAC6SMYD3HDAC3HDAC1CRBN
SCHEMBL23143550 0.79 SMYD3 (0.72) SMYD3CRBN
SCHEMBL29899597 0.79 SMYD3 (0.72) SMYD3CRBN
SCHEMBL24973 0.78 SMYD3 (0.58) HDAC2HDAC8HDAC6SMYD3HDAC3
SCHEMBL3183636 0.77 SMYD3 (0.60) SMYD3
SCHEMBL5316057 0.76 CRBN (0.81) HDAC6SMYD3HDAC3HDAC1CRBN
SCHEMBL3193145 0.75 SMYD3 (0.71) HDAC2HDAC8HDAC6SMYD3HDAC3
SCHEMBL3190640 0.75 RAB9A (0.61) SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542274-B1 Therapeutic compounds and methods of use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2023-01-03 US disclosed
US-20210147441-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-05-20 US disclosed
WO-2021061053-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-04-01 WO 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 (2 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-20210147441-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF UBQLN2, TXNRD1, TXNRD2 HDAC2 2017/4885HDAC8 2207/4885HDAC6 120/4885
US-11542274-B1 Therapeutic compounds and methods of use thereof MDM2, SUMO2, XIAP HDAC2 1725/4885HDAC8 2269/4885HDAC6 209/4885

“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.