SCHEMBL24938955

SCHEMBL24938955

Cn1cc(CN2CCN3C(=O)CNC(=O)C3C2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.46
▸ TSHR P16473 1/20 0.46
▸ DOCK5 Q9H7D0 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ GPR84 Q9NQS5 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ PDE2A O00408 1/20 0.39
▸ CMA1 P23946 1/20 0.39

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
SCHEMBL24939886 0.85 HTR6 (0.45) HDAC8HDAC6MEN1KMT2A
SCHEMBL24939910 0.82 HTR6 (0.41) ALDH1A1TSHRHDAC8HDAC6MEN1
SCHEMBL24940034 0.82 LMNA (0.48) LMNAGLAALDH1A1TSHRDOCK5
SCHEMBL24939995 0.81 HDAC3 (0.42) ALDH1A1HDAC8HDAC6
SCHEMBL24939879 0.81 PDE4A (0.42) HDAC8HDAC6
SCHEMBL30337109 0.80 TSHR (0.47) TSHRMEN1KMT2ADRD2DRD4
SCHEMBL24939957 0.80 F10 (0.41) ALDH1A1HDAC8HDAC6KMT2A
SCHEMBL24939934 0.78 CYP2D6 (0.56) LMNAALDH1A1TSHRDRD2DRD4
SCHEMBL24939864 0.77 CHRNA7 (0.49) HDAC8HDAC6DRD2DRD4DRD3
SCHEMBL24152329 0.77 GSK3B (0.50) ALDH1A1DRD2SMN1; SMN2

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-20230019094-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME HOLOSMEDIC (KR) 2023-01-19 — — 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-20230019094-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ABCC1 LMNA 3175/4885GLA 4008/4885ALDH1A1 2653/4885

“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.

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