SCHEMBL24939890

SCHEMBL24939890

O=C1NCC(=O)N2CCN(Cc3c(Cc4ccccc4)sc4ccccc34)CC12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ NPY1R P25929 2/20 0.34
▸ HTR1A P08908 4/20 0.33
▸ HTR7 P34969 4/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ PARP1 P09874 1/20 0.30
▸ TACR1 P25103 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL24939944 0.94 PTPN1 (0.35) GSK3AGSK3BNPY1RCYP2D6CHRM1
SCHEMBL24938953 0.93 NPY1R (0.41) NPY1RCYP2D6CHRM1HTR2AHRH1
SCHEMBL24939893 0.93 SMN1; SMN2 (0.36) NPY1RCYP2D6CHRM1HTR2AHRH1
SCHEMBL24939986 0.93 CYP2D6 (0.42) NPY1RCYP2D6CHRM1HTR2AHRH1
SCHEMBL24939992 0.93 NPY1R (0.33) NPY1RCYP2D6CHRM1HTR2AHRH1
SCHEMBL23303909 0.88 NPY1R (0.35) NPY1RALDH1A1PARP1
SCHEMBL29695401 0.88 NPY1R (0.35) NPY1RALDH1A1PARP1
SCHEMBL23302562 0.88 NPY1R (0.35) NPY1RALDH1A1PARP1
SCHEMBL24938894 0.85 NPY1R (0.35) NPY1RCYP2D6CHRM1HTR2AHRH1
SCHEMBL24939989 0.84 NPY1R (0.36) NPY1RHTR1AHTR7

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 GSK3A 1714/4885GSK3B 1476/4885NPY1R 4531/4885

“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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