SCHEMBL24938858

SCHEMBL24938858

Cc1c(CN2CCN3C(=O)CNC(=O)C3C2)c2ccccc2n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ PLA2G2A P14555 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PTGDR2 Q9Y5Y4 2/20 0.38
▸ P2RX4 Q99571 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ AVPR1A P37288 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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 0.89 P2RX4 (0.38) KDM4ETDP1P2RX4GSK3AGSK3B
SCHEMBL24940040 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4ETDP1PLA2G2A
SCHEMBL30336993 0.83 TP53 (0.45) ALDH1A1SMN1; SMN2KDM4ETDP1P2RX4
SCHEMBL24152329 0.82 GSK3B (0.50) ALDH1A1SMN1; SMN2GSK3AGSK3BCYP1A2
SCHEMBL24939886 0.78 HTR6 (0.45) MEN1KMT2APOLBHDAC1HDAC6
SCHEMBL24939896 0.78 IL1R1 (0.44) ALDH1A1KDM4EMEN1KMT2AGSK3A
SCHEMBL28980935 0.76 KDM4E (0.47) ALDH1A1SMN1; SMN2KDM4ETDP1MEN1
SCHEMBL23967364 0.76 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL24938970 0.76 CYP1A2 (0.38) ALDH1A1SMN1; SMN2KDM4ETDP1MEN1
SCHEMBL28980928 0.76 DRD2 (0.43) ALDH1A1KDM4EMEN1KMT2AMAPK1

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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