SCHEMBL23588609

SCHEMBL23588609

CCn1nnc2c(C(=O)O)ncn2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
PABPC1 P11940 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 1/20 0.51
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
HCAR3 P49019 2/20 0.38
PTGES O14684 6/20 0.35
TSHR P16473 2/20 0.33
PKM P14618 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HPGD P15428 1/20 0.33
GRIA1 P42261 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
SCHEMBL13027962 0.87 MEN1 (0.68) MEN1PABPC1KMT2ANPC1CA12
SCHEMBL891953 0.86 MEN1 (0.51) MEN1PABPC1KMT2ANPC1CA12
SCHEMBL891935 0.85 MEN1 (0.50) MEN1PABPC1KMT2ANPC1CA12
SCHEMBL22847416 0.85 MEN1 (0.47) MEN1PABPC1KMT2ANPC1CA12
SCHEMBL10644355 0.83 MEN1 (0.51) MEN1PABPC1KMT2ANPC1CA12
SCHEMBL25436251 0.82 MEN1 (0.48) MEN1PABPC1KMT2ANPC1CA12
SCHEMBL892211 0.82 MEN1 (0.47) MEN1PABPC1KMT2ANPC1CA12
SCHEMBL892401 0.81 MEN1 (0.77) MEN1PABPC1KMT2ANPC1CA12
Hydrochloric Acid SCHEMBL1335355 0.80 MEN1 (0.75) MEN1PABPC1KMT2ANPC1CA12
SCHEMBL31451983 0.77 KMT2A (0.45) MEN1PABPC1KMT2ANPC1CA12

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-20210198265-A1 TEMOZOLOMIDE COMPOUNDS, POLYMERS PREPARED THEREFROM, AND METHOD OF TREATING A DISEASE UNIVERSITY OF MASSACHUSETTS 2021-07-01 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-20210198265-A1 TEMOZOLOMIDE COMPOUNDS, POLYMERS PREPARED THEREFROM, AND METHOD OF TREATING A DISEASE PBRM1, MGMT, TOP1 MEN1 5/4885PABPC1 1794/4885KMT2A 401/4885

“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.