SCHEMBL24938852

SCHEMBL24938852

CCc1sc2ccccc2c1CN1CCN2C(=O)CN(Cc3ccc4ccccc4c3)C(=O)C2C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.38
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ MCHR1 Q99705 2/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ MMP13 P45452 1/20 0.33

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
SCHEMBL24153475 0.90 KMT2A (0.38) HTR1AKMT2A
SCHEMBL24153499 0.90 HTR1A (0.39) HTR1A
SCHEMBL24939891 0.89 LMNA (0.42) HTR1AKMT2A
SCHEMBL24938892 0.89 NPY1R (0.41) HTR1A
SCHEMBL24939924 0.88 L3MBTL1 (0.41) POLBKMT2A
SCHEMBL24939973 0.88 NPY1R (0.36) HTR1A
SCHEMBL24939892 0.88 LMNA (0.38) HTR1A
SCHEMBL24153613 0.88 NPY1R (0.36) HTR1AKMT2A
SCHEMBL24939933 0.88 L3MBTL1 (0.35) HTR1AKMT2AMCHR1HCRTR1HCRTR2
SCHEMBL24153472 0.87 HTR1A (0.39) HTR1A

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 HTR1A 4854/4885POLB 3868/4885KMT2A 2394/4885

“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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