SCHEMBL24938970

SCHEMBL24938970

Cc1sc2ccccc2c1CN1CCN2C(=O)CNC(=O)C2C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ FTO Q9C0B1 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PARP1 P09874 1/20 0.32
▸ F2 P00734 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPY1R P25929 2/20 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
SCHEMBL29695401 0.88 NPY1R (0.35) ALDH1A1PARP1NPY1R
SCHEMBL23302562 0.88 NPY1R (0.35) ALDH1A1PARP1NPY1R
SCHEMBL23303909 0.88 NPY1R (0.35) ALDH1A1PARP1NPY1R
SCHEMBL24939893 0.85 SMN1; SMN2 (0.36) CYP2D6TDP1LMNAPARP1SMN1; SMN2
SCHEMBL24938894 0.84 NPY1R (0.35) CYP2D6PARP1NPY1R
SCHEMBL24939890 0.84 GSK3A (0.34) CYP2D6ALDH1A1PARP1KMT2ANPY1R
SCHEMBL24939951 0.83 CNR2 (0.35) CYP2D6PARP1NPY1R
SCHEMBL24940047 0.82 CYP1A2 (0.35) CYP1A2CYP2D6TSHRNFKB1HSD17B10
SCHEMBL24939989 0.82 NPY1R (0.36) NPY1R
SCHEMBL23334533 0.80 GAA (0.30) SMN1; SMN2

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 CYP1A2 4704/4885CYP2D6 4448/4885TSHR 4784/4885

“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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