SCHEMBL20782838

SCHEMBL20782838

NS(=O)(=O)Nc1cccc2c1CCNC2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.53
PNMT P11086 6/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
MAOB P27338 1/20 0.41
SCN9A Q15858 1/20 0.39
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NMT1 P30419 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3C2B O00750 1/20 0.38
MTOR P42345 1/20 0.38
P2RX7 Q99572 1/20 0.38
PRCP P42785 1/20 0.36

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
SCHEMBL3700361 0.85 CD44 (0.49) CD44PNMTADRA2AMAOBSCN9A
Hydrochloric Acid SCHEMBL5751690 0.84 CD44 (0.47) CD44PNMTADRA2AMAOBSCN9A
Hydrochloric Acid SCHEMBL10356561 0.80 HTR6 (0.56) CD44PNMTHTR6ALDH1A1KDM4E
SCHEMBL21598435 0.79 CD44 (0.61) CD44PNMTMAOBPIK3CDPIK3C2B
SCHEMBL30147781 0.79 CD44 (0.61) CD44PNMTMAOBPIK3CDPIK3C2B
SCHEMBL5408570 0.76 PNMT (0.58) CD44PNMTADRA2AADRA2BADRA2C
SCHEMBL10240505 0.76 HTR6 (0.48) CD44PNMTHTR6ALDH1A1LMNA
SCHEMBL2810333 0.76 CD44 (0.56) CD44PNMTMAOBPIK3CDPIK3C2B
Hydrochloric Acid SCHEMBL9959613 0.75 HTR6 (0.47) PNMTHTR6ALDH1A1LMNAGAA
SCHEMBL10239990 0.75 MEN1 (0.50) PNMTHTR6ALDH1A1KDM4ELMNA

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-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 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-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 CD44 4506/4885PNMT 2059/4885ADRA2A 2311/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 CD44 4506/4885PNMT 2059/4885ADRA2A 2311/4885

“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.