SCHEMBL24940040

SCHEMBL24940040

Cc1c(CN2CCN3C(=O)C(C)(C)NC(=O)C3C2)c2ccccc2n1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ PLA2G2A P14555 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ PTGDR2 Q9Y5Y4 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AVPR1A P37288 1/20 0.38
▸ P2RX4 Q99571 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL24938858 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4ETDP1PLA2G2A
SCHEMBL24938929 0.81 AVPR1A (0.55) ALDH1A1SMN1; SMN2KDM4ETDP1PLA2G2A
SCHEMBL24939953 0.80 HTR6 (0.43) MEN1KMT2APOLBHDAC1HDAC6
SCHEMBL24940024 0.77 CYP2D6 (0.33) ALDH1A1KMT2ACYP1A2
SCHEMBL24940047 0.77 CYP1A2 (0.35) ALDH1A1KDM4ETDP1CYP1A2HSD17B10
SCHEMBL24940034 0.75 LMNA (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC6
SCHEMBL24940036 0.75 HDAC3 (0.41) ALDH1A1HDAC1HDAC6CYP2C19
SCHEMBL24939938 0.72 P2RX4 (0.38) KDM4ETDP1P2RX4CYP1A2CYP2C9
SCHEMBL24939881 0.72 CYP2D6 (0.54) ALDH1A1SMN1; SMN2KDM4ETDP1MAPK1
SCHEMBL24939952 0.71 CHRNA7 (0.47) SMN1; SMN2HDAC6

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 ALDH1A1 2653/4885SMN1; SMN2 3242/4885KDM4E 1816/4885

“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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