SCHEMBL22831428

SCHEMBL22831428

COc1ccc(=O)n(CC(=O)c2c(C)cn(Cc3ccccc3)c2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ TSHR P16473 1/20 0.44
▸ S1PR2 O95136 1/20 0.44
▸ HPGD P15428 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ BRD2 P25440 1/20 0.42
▸ BRD3 Q15059 1/20 0.42
▸ BRDT Q58F21 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ P2RX7 Q99572 3/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PLA2G2A P14555 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40

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
SCHEMBL18951821 0.80 SIGMAR1 (0.54) KDM4EALDH1A1HPGDLMNABRD4
SCHEMBL21333428 0.79 S1PR2 (0.70) KDM4EALDH1A1TSHRS1PR2LMNA
SCHEMBL31550480 0.72 SIGMAR1 (0.51) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL5445050 0.70 HRH3 (0.55) KDM4EALDH1A1LMNAPTGDR2BRD4
SCHEMBL9266983 0.70 CNR2 (0.44) ALDH1A1KMT2AHTT
SCHEMBL27033898 0.69 ALDH1A1 (0.48) KDM4EALDH1A1LMNAKMT2AHTT
SCHEMBL27033920 0.69 ALDH1A1 (0.45) KDM4EALDH1A1LMNAPLA2G2AKMT2A
SCHEMBL9271868 0.69 MEN1 (0.48) ALDH1A1KMT2AHTT
SCHEMBL5440241 0.69 MKNK1 (0.54) ALDH1A1LMNANPC1RAB9AKMT2A
SCHEMBL28680540 0.68 GFER (0.54) KDM4EALDH1A1CHRM1PLA2G2AKMT2A

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-11964960-B2 Pyridinone- and pyridazinone-based compounds and uses thereof CORNELL UNIVERSITY (US) 2024-04-23 — — US disclosed
US-20200407339-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND USES THEREOF TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE 2020-12-31 — — 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 (2 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-20200407339-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND USES THEREOF PTGER1, LOXL1, COL1A1 KDM4E 2671/4885ALDH1A1 421/4885TSHR 4058/4885
US-11964960-B2 Pyridinone- and pyridazinone-based compounds and uses thereof PTGER1, LOXL1, COL1A1 KDM4E 2671/4885ALDH1A1 421/4885TSHR 4058/4885

“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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