SCHEMBL24939896

SCHEMBL24939896

O=C1NCC(=O)N2CCN(Cc3c(-c4ccccc4)n(-c4ccccc4)c4ccccc34)CC12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL1R1 P14778 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ FOLH1 Q04609 1/20 0.35
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ KDR P35968 2/20 0.32
▸ MAPK8 P45983 2/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ GSK3A P49840 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ HTR7 P34969 2/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ GLA P06280 1/20 0.30

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
SCHEMBL24939938 0.87 P2RX4 (0.38) L3MBTL1HTTFOLH1DRD2DRD4
SCHEMBL24938858 0.78 ALDH1A1 (0.45) KMT2AALDH1A1L3MBTL1MEN1FOLH1
SCHEMBL24152329 0.76 GSK3B (0.50) ALDH1A1DRD2GSK3AGSK3BCYP1A2
SCHEMBL24939995 0.74 HDAC3 (0.42) ALDH1A1HTR7CYP3A4CYP2C19
SCHEMBL24938955 0.73 LMNA (0.49) KMT2AALDH1A1MEN1DRD2DRD4
SCHEMBL24939886 0.73 HTR6 (0.45) KMT2AMEN1MAPT
SCHEMBL24938970 0.73 CYP1A2 (0.38) KMT2AALDH1A1L3MBTL1MEN1KDM4E
SCHEMBL23967364 0.73 ALDH1A1 (0.38) KMT2AALDH1A1L3MBTL1MEN1MAPT
SCHEMBL23303909 0.71 NPY1R (0.35) ALDH1A1
SCHEMBL24939934 0.71 CYP2D6 (0.56) ALDH1A1L3MBTL1HTTDRD2DRD4

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 IL1R1 4097/4885KMT2A 2394/4885ALDH1A1 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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