SCHEMBL22164722

SCHEMBL22164722

CCc1oc2ccccc2c1CN1CCN2C(=O)CNC(=O)C2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ LMNA P02545 5/20 0.37
▸ TSHR P16473 5/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HTT P42858 3/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
Hydrochloric Acid SCHEMBL22164705 0.99 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTHSD17B10HPGD
SCHEMBL23967385 0.91 PTPN1 (0.38) ALDH1A1KMT2ALMNATSHRMAPK1
SCHEMBL22165526 0.89 PTPN1 (0.35) ALDH1A1KMT2ALMNATSHRMAPK1
SCHEMBL23967368 0.89 PTPN1 (0.35) ALDH1A1KMT2ALMNATSHRMAPK1
SCHEMBL22165524 0.88 MTNR1A (0.38) ALDH1A1KMT2AMAPTHSD17B10LMNA
SCHEMBL23967364 0.88 ALDH1A1 (0.38) ALDH1A1KMT2AMAPTHSD17B10LMNA
SCHEMBL23967393 0.87 ABCB1 (0.45) ALDH1A1KMT2AMAPTHSD17B10LMNA
SCHEMBL22164729 0.85 LMNA (0.34) ALDH1A1KMT2AMAPTLMNATSHR
SCHEMBL22165407 0.85 MAPT (0.36) ALDH1A1KMT2AMAPTLMNATSHR
SCHEMBL22173784 0.83 ALDH1A1 (0.37) ALDH1A1KMT2AMAPTHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12139491-B2 Diketopiperazine derivatives as calcium ATPase inhibitor for enhancing anticancer activity HOLOSMEDIC (KR) 2024-11-12 — — US disclosed
WO-2021261969-A1 PREPARATION METHOD FOR NOVEL COMPOUND 홀로스메딕 주식회사 2021-12-30 — — WO disclosed
EP-3903786-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR ENHANCING ANTICANCER ACTIVITY Holosmedic (KR) 2021-11-03 — — EP disclosed
EP-3903786-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR ENHANCING ANTICANCER ACTIVITY Holosmedic (KR) 2021-11-03 — — EP disclosed
CN-113260365-A Novel compound and pharmaceutical composition for enhancing anticancer activity comprising the same 治愈医药社株式会社 2021-08-13 — — CN disclosed
WO-2020139044-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR ENHANCING ANTICANCER ACTIVITY 홀로스메딕 주식회사 2020-07-02 — — WO disclosed
WO-2020139044-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR ENHANCING ANTICANCER ACTIVITY 홀로스메딕 주식회사 2020-07-02 — — WO 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-12139491-B2 Diketopiperazine derivatives as calcium ATPase inhibitor for enhancing anticancer activity ATP1A1, ATP1B1, ATP1B2 ALDH1A1 2883/4885KMT2A 3082/4885MAPT 3132/4885

“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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