SCHEMBL30130296

SCHEMBL30130296

COc1ccc(Cn2c(=O)c3c(n4nccc24)CCNC3)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 1/20 0.39
▸ EGLN1 Q9GZT9 2/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ PDE1B Q01064 2/20 0.37
▸ GNRHR P30968 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 3/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HTR6 P50406 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
SCHEMBL24914494 1.00 ALDH1A1 (0.39) ALDH1A1TSHREGLN1P2RX3KDM4E
SCHEMBL30130292 0.84 PDE1B (0.43) ALDH1A1TSHREGLN1P2RX3KDM4E
SCHEMBL30130239 0.80 CLPP (0.49) ALDH1A1TSHRP2RX3KDM4EMAPK1
SCHEMBL24914779 0.80 CLPP (0.49) ALDH1A1TSHRP2RX3KDM4EMAPK1
SCHEMBL22845413 0.77 PDE1B (0.49) PDE1BGNRHRGAA
Acetic Acid SCHEMBL22717314 0.74 PDE1B (0.46) ALDH1A1TSHRKDM4EPDE1BGNRHR
SCHEMBL22845308 0.67 DPP4 (0.52) —
SCHEMBL24914516 0.65 CLPP (0.65) PDE1B
SCHEMBL23120457 0.65 ALDH1A1 (0.49) ALDH1A1TSHRKDM4EMAPK1MEN1
SCHEMBL6110107 0.64 ALDH1A1 (0.44) ALDH1A1TSHRKDM4EMAPK1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327408-A1 COMPOUNDS CONTAINING TETRAHYDRONAPHTHYRIDINONE OR TETRAHYDROPYRIDOPYRIMIDINONE SKELETON, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2024-10-03 — — US disclosed
CN-115611896-A Compound containing tetralone or tetrahydropyridopyrimidone skeleton and preparation method and pharmaceutical application thereof 中国药科大学 2023-01-17 — — CN 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-20240327408-A1 COMPOUNDS CONTAINING TETRAHYDRONAPHTHYRIDINONE OR TETRAHYDROPYRIDOPYRIMIDINONE SKELETON, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF PRCP, TMPRSS15, WEE1 ALDH1A1 1069/4885TSHR 2738/4885EGLN1 3410/4885

“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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