SCHEMBL24938938

SCHEMBL24938938

O=C1C2CN(Cc3cn(Cc4ccccc4)c4ccccc34)CCN2C(=O)CN1Cc1ccc2ccccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.38
▸ HTR6 P50406 2/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DRD4 P21917 1/20 0.35

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
SCHEMBL24938893 0.88 CYP19A1 (0.43) CYP19A1HTR6HTR1AHDAC3HDAC1
SCHEMBL24939947 0.86 KMT2A (0.41) CYP19A1HTR6HTR1AHDAC3HDAC1
SCHEMBL24939928 0.86 HTR1A (0.43) CYP19A1HTR6HTR1AHDAC3HDAC1
SCHEMBL24939876 0.84 HDAC1 (0.41) CYP19A1HTR6HDAC3HDAC1HDAC2
SCHEMBL30337200 0.82 FAAH (0.39) HTR1ADRD4FAAH
SCHEMBL24145684 0.82 FAAH (0.39) HTR1ADRD4FAAH
SCHEMBL23334537 0.80 BCHE (0.44) HTR6HTR1ADRD4
SCHEMBL26092261 0.79 KMT2A (0.41) HTR1AKMT2ADRD4FAAH
SCHEMBL30337587 0.77 FAAH (0.44) FAAH
SCHEMBL24939886 0.74 HTR6 (0.45) CYP19A1HTR6HDAC3HDAC1HDAC2

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 CYP19A1 2504/4885HTR6 4533/4885HTR1A 4854/4885

“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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