SCHEMBL25313456

SCHEMBL25313456

CCC1(O)C(=O)N(c2cncc(C3OCCO3)c2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.35
▸ GAA P10253 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ ITGB2 P05107 1/20 0.32
▸ ICAM1 P05362 1/20 0.32
▸ ITGAL P20701 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
SCHEMBL23972244 0.86 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL30718077 0.86 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL24687985 0.86 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL25314565 0.85 PGR (0.36) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL30132794 0.85 PGR (0.36) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL30227486 0.82 TSHR (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25313599 0.82 TSHR (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30227655 0.82 EGLN1 (0.41) EGLN1
SCHEMBL25315306 0.82 EGLN1 (0.41) EGLN1
SCHEMBL28943155 0.79 LMNA (0.35) ALDH1A1GAAEGLN1MAPTNPSR1

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-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 — — 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-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 ALDH1A1 426/4885GAA 853/4885MEN1 3978/4885

“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.

Send feedback