SCHEMBL5880562

SCHEMBL5880562

CN1CCN(S(=O)(=O)c2cccc3c2CCNC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.44
CD44 P16070 1/20 0.44
HTR6 P50406 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SCN9A Q15858 1/20 0.41
NMT1 P30419 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL14407970 0.89 PNMT (0.48) KMT2ALMNAPOLBHTR6ALDH1A1
SCHEMBL14407965 0.78 CD44 (0.53) CD44NMT1
SCHEMBL3247434 0.75 CD44 (0.53) CD44KDM4ESCN9A
SCHEMBL14874208 0.75 CD44 (0.53) CD44SCN9ANMT1
SCHEMBL5408570 0.75 PNMT (0.58) CD44SCN9A
SCHEMBL5357431 0.75 HTR2C (0.52) KMT2APOLBHTR6ALDH1A1SMN1; SMN2
SCHEMBL16485203 0.73 CD44 (0.50) CD44HTR6
SCHEMBL3879315 0.71 HTR2C (0.66) HTR6TSHRSMN1; SMN2CASP1CASP7
SCHEMBL21743782 0.71 CD44 (0.46) CD44HTR6SCN9A
SCHEMBL2959421 0.70 POLB (0.57) KMT2ALMNAPOLBHTR6L3MBTL1

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 13 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-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
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
CN-111315723-A Extramembranous nucleotide pyrophosphatase-phosphodiesterase 1(ENPP-1) inhibitor and application thereof 艾伯维公司 2020-06-19 CN disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 WO disclosed
US-7091200-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX U.S.A. LLC (US) 2006-08-15 US disclosed
US-6900220-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-05-31 US disclosed
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists BECKER CYRUS K (US) 2005-05-19 US disclosed
EP-1363899-B1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-05-11 EP disclosed
EP-1363899-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-11-26 EP disclosed
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC 2003-04-10 US disclosed
WO-2002053558-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMAN-LA ROCHE AG (CH) 2002-07-11 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 (4 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-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B KMT2A 3518/4885LMNA 1587/4885POLB 1579/4885
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 KMT2A 3342/4885LMNA 3502/4885POLB 392/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 KMT2A 3342/4885LMNA 3502/4885POLB 392/4885
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B KMT2A 3377/4885LMNA 1493/4885POLB 1594/4885

“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.