SCHEMBL24958271

SCHEMBL24958271

CCOC(=O)c1[nH]ccc1NC(C)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.42
NUDT1 P36639 1/20 0.42
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1536614 0.81 ALDH1A1 (0.44) SMN1; SMN2KMT2ANUDT1KDM4EALDH1A1
SCHEMBL2626729 0.80 KMT2A (0.44) SMN1; SMN2KMT2ANUDT1KDM4EALDH1A1
SCHEMBL28896270 0.79 SMN1; SMN2 (0.38) SMN1; SMN2KMT2ANUDT1KDM4EALDH1A1
SCHEMBL1492325 0.79 KDM4E (0.50) SMN1; SMN2KMT2ANUDT1KDM4EALDH1A1
SCHEMBL18557963 0.78 KMT2A (0.43) SMN1; SMN2KMT2ANUDT1KDM4EALDH1A1
SCHEMBL4200796 0.78 ALDH1A1 (0.45) SMN1; SMN2KMT2ANUDT1KDM4EALDH1A1
SCHEMBL25892876 0.78 KMT2A (0.43) SMN1; SMN2KMT2ANUDT1KDM4EALDH1A1
SCHEMBL25241521 0.78 KDM4E (0.51) KMT2ANUDT1KDM4EALDH1A1LMNA
SCHEMBL1536739 0.77 TSHR (0.45) SMN1; SMN2KMT2ANUDT1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL25312311 0.76 TSHR (0.44) SMN1; SMN2KMT2ANUDT1KDM4EALDH1A1

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-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2023-01-26 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-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 SMN1; SMN2 4683/4885KMT2A 573/4885NUDT1 2562/4885

“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.