SCHEMBL25656012

SCHEMBL25656012

Cc1cc2ncc(C)c(N3CCCN(S(N)(=O)=O)CC3)c2cc1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 11/20 0.48
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
TSHR P16473 1/20 0.37
LRRK2 Q5S007 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL25656124 0.86 ENPP1 (0.43) ENPP1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL25656126 0.86 ENPP1 (0.43) ENPP1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL25656101 0.86 LRRK2 (0.53) ENPP1ALDH1A1MAPTSMN1; SMN2LRRK2
SCHEMBL25656125 0.82 MEN1 (0.57) ALDH1A1MAPTHTTNPSR1LMNA
SCHEMBL25656000 0.80 ENPP1 (0.73) ENPP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL25656031 0.79 ALDH1A1 (0.52) ENPP1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL25656014 0.78 ENPP1 (0.63) ENPP1ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL25656224 0.75 ENPP1 (0.51) ENPP1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL25656022 0.72 ENPP1 (0.69) ENPP1
SCHEMBL23726965 0.72 ENPP1 (0.61) ENPP1ALDH1A1MAPTSMN1; SMN2NPSR1

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-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2023-06-15 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-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF ENPP1, ENPP3, PPA1 ENPP1 1/4885ALDH1A1 2287/4885MAPT 4512/4885

“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.