SCHEMBL24938953

SCHEMBL24938953

O=C1NCC(=O)N2CCN(Cc3c(Cc4ccc(Cl)cc4)sc4ccccc34)CC12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 5/20 0.41
▸ DRD2 P14416 3/20 0.35
▸ DRD4 P21917 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ TACR1 P25103 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32

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
SCHEMBL24939890 0.93 GSK3A (0.34) NPY1RKMT2ATACR1CYP2D6CHRM1
SCHEMBL24939992 0.91 NPY1R (0.33) NPY1RMEN1KMT2ACYP2D6CHRM1
SCHEMBL24939986 0.91 CYP2D6 (0.42) NPY1RTACR1CYP2D6CHRM1HTR2A
SCHEMBL24939893 0.91 SMN1; SMN2 (0.36) NPY1RDRD4CYP2D6CHRM1HTR2A
SCHEMBL24939944 0.91 PTPN1 (0.35) NPY1RDRD2MEN1KMT2ACYP2D6
SCHEMBL23303909 0.85 NPY1R (0.35) NPY1R
SCHEMBL29695401 0.85 NPY1R (0.35) NPY1R
SCHEMBL23302562 0.85 NPY1R (0.35) NPY1R
SCHEMBL24940021 0.84 NPY1R (0.40) NPY1RDRD2DRD4F2F10
SCHEMBL23334399 0.82 MEN1 (0.36) DRD2DRD4MEN1KMT2ANOTUM

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 NPY1R 4531/4885DRD2 4498/4885DRD4 4525/4885

“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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