SCHEMBL25314565

SCHEMBL25314565

CC1(C)C(=O)N(c2cncc(C3OCCO3)c2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ PTH1R Q03431 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL30132794 1.00 PGR (0.36) PGRMEN1KMT2AITGB2ICAM1
SCHEMBL30718077 0.90 ALDH1A1 (0.38) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL23972244 0.90 ALDH1A1 (0.38) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL24687985 0.90 ALDH1A1 (0.38) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL25315306 0.87 EGLN1 (0.41) EGLN1
SCHEMBL30227655 0.87 EGLN1 (0.41) EGLN1
SCHEMBL25313456 0.85 ALDH1A1 (0.35) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL28943155 0.85 LMNA (0.35) ITGB2ICAM1ITGALALDH1A1EGLN1
SCHEMBL30132804 0.85 LMNA (0.35) ITGB2ICAM1ITGALALDH1A1EGLN1
SCHEMBL25890372 0.85 LMNA (0.35) ITGB2ICAM1ITGALALDH1A1EGLN1

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-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 — — US disclosed
CN-115485271-A Novel compounds as inhibitors of poly (ADP-ribose) polymerase (PARP) 理森制药股份公司 2022-12-16 — — 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-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 PGR 817/4885MEN1 3978/4885KMT2A 1710/4885

“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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