SCHEMBL24939886

SCHEMBL24939886

O=C1NCC(=O)N2CCN(Cc3cn(Cc4ccccc4)c4ccccc34)CC12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.45
▸ CYP19A1 P11511 5/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CACNB4 O00305 1/20 0.41

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
SCHEMBL24939995 0.94 HDAC3 (0.42) HTR6CYP19A1PDE4APDE4BPDE4C
SCHEMBL24938979 0.89 CACNB4 (0.43) HTR6CYP19A1PDE4APDE4BPDE4C
SCHEMBL24939957 0.89 F10 (0.41) HTR6HDAC3HDAC1HDAC2HDAC10
SCHEMBL24939910 0.87 HTR6 (0.41) HTR6HDAC1HDAC8HDAC6KMT2A
SCHEMBL24939868 0.86 HTR6 (0.53) HTR6CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL24939945 0.86 PPARD (0.46) HTR6CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL24939879 0.85 PDE4A (0.42) HTR6PDE4APDE4BPDE4CPDE4D
SCHEMBL24938955 0.85 LMNA (0.49) HDAC8HDAC6KMT2AMEN1
SCHEMBL24152329 0.84 GSK3B (0.50) —
SCHEMBL24938893 0.82 CYP19A1 (0.43) HTR6CYP19A1PDE4APDE4BPDE4C

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 HTR6 4533/4885CYP19A1 2504/4885PDE4A 2339/4885

“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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