SCHEMBL23358361

SCHEMBL23358361

C[C@H](NP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KMT2A Q03164 9/20 0.42
▸ MEN1 O00255 6/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ RORC P51449 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL23358364 1.00 ALDH1A1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2TDP1
SCHEMBL30583787 0.91 GAA (0.42) ALDH1A1MAPTLMNASMN1; SMN2TDP1
SCHEMBL15536414 0.90 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL17760460 0.90 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL14989437 0.90 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL15536216 0.90 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL23803196 0.90 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL23803197 0.90 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL17712319 0.90 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL28938599 0.89 ALDH1A1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295202-A1 CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2023-09-21 — — US disclosed
EP-3831388-A1 CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2021-06-09 — — EP disclosed
EP-3831836-A1 CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2021-06-09 — — EP disclosed
US-20210155644-A1 CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2021-05-27 — — US disclosed
US-20210147456-A1 CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2021-05-20 — — 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 (3 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-20230295202-A1 CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF SLC28A1, SLC20A1, SLC29A1 ALDH1A1 504/4885MAPT 4397/4885LMNA 2968/4885
US-20210147456-A1 CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF SLC28A1, SLC20A1, SLC29A1 ALDH1A1 504/4885MAPT 4397/4885LMNA 2968/4885
US-20210155644-A1 CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF SLC28A1, SLC20A1, NOX1 ALDH1A1 411/4885MAPT 4166/4885LMNA 3483/4885

“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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