SCHEMBL23959407

SCHEMBL23959407

CC(S)c1ccc(C2CCN(C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.49
LSS P48449 1/20 0.45
DRD2 P14416 3/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
KDM1B Q8NB78 2/20 0.38
RCOR1 Q9UKL0 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL10169266 0.85 QDPR (0.51) QDPRLSSDRD2HDAC3HDAC4
SCHEMBL23605571 0.82 QDPR (0.49) QDPRLSSDRD2HDAC3HDAC4
SCHEMBL8053564 0.82 QDPR (0.53) QDPRLSSDRD2HDAC3HDAC4
SCHEMBL23605141 0.80 QDPR (0.50) QDPRLSSDRD2HDAC3HDAC4
SCHEMBL4876633 0.77 QDPR (0.55) QDPRLSSDRD2HDAC3HDAC4
SCHEMBL16980526 0.75 HPGD (0.47) QDPRLSSDRD2
SCHEMBL81500 0.75 QDPR (0.56) QDPRLSSDRD2HDAC3HDAC4
SCHEMBL5555124 0.74 MC4R (0.45) QDPRLSSHSD11B1BRD9
SCHEMBL5555120 0.74 MC4R (0.45) QDPRLSSHSD11B1BRD9
SCHEMBL24097771 0.74 QDPR (0.47) QDPRLSSHDAC3HDAC4HDAC1

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-20210332029-A1 ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 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-20210332029-A1 ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER EGFR, TP53, BRCA1 QDPR 338/4885LSS 3574/4885DRD2 143/4885

“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.