SCHEMBL23459312

SCHEMBL23459312

COc1ccccc1C[C@H]1[C@H](O)CCN1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.46
▸ ALOX15 P16050 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44

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
SCHEMBL23459007 0.86 SMN1; SMN2 (0.46) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL23459009 0.86 SMN1; SMN2 (0.46) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6541826 0.84 CXCR4 (0.55) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL29997324 0.84 CYP2D6 (0.43) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL29997790 0.84 CYP2D6 (0.43) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6540371 0.83 BCHE (0.53) KMT2AMEN1CYP2D6SIGMAR1CHRM2
SCHEMBL23459316 0.79 SMN1; SMN2 (0.40) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL23459409 0.78 GBA1 (0.43) KMT2AMEN1CYP2C19
SCHEMBL5355491 0.78 GBA1 (0.43) KMT2AMEN1CYP2C19
SCHEMBL6326488 0.78 GBA1 (0.43) KMT2AMEN1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 — — US disclosed
US-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2021-06-24 — — US disclosed
WO-2021113506-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2021-06-10 — — 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 (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-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 KMT2A 1328/4885MEN1 1920/4885KDM4E 1914/4885
US-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ATM, CHEK2, CHEK1 KMT2A 1328/4885MEN1 1920/4885KDM4E 1914/4885

“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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