SCHEMBL949403

SCHEMBL949403

CCOC(=O)c1ccc(Cc2ccccc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.47
TSHR P16473 3/20 0.46
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
MMP12 P39900 3/20 0.46
MMP1 P03956 2/20 0.46

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
SCHEMBL1149624 0.87 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL1149576 0.84 MMP1 (0.50) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL28695453 0.81 RAB9A (0.46) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL3282173 0.80 LMNA (0.49) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL10504857 0.80 RAB9A (0.48) RAB9ANPC1KMT2AMAPTLMNA
SCHEMBL28607697 0.79 LMNA (0.48) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL29886826 0.79 MMP2 (0.45) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL1149636 0.79 ALOX15 (0.50) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL951483 0.79 HCAR2 (0.49) SMN1; SMN2RAB9AMAPTLMNAKDM4E
SCHEMBL1160497 0.78 LMNA (0.55) SMN1; SMN2RAB9ANPC1KMT2AMAPT

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023246876-A1 MEDICAL USE OF FORMAMIDE DERIVATIVES, FORMAMIDE DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 上海科技大学 2023-12-28 WO disclosed
CN-117285520-A Medical use of carboxamide derivative, carboxamide derivative and pharmaceutical composition containing carboxamide derivative 上海科技大学 2023-12-26 CN disclosed
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS SUNOVION PHARMACEUTICALS INC. (US) 2011-04-21 US disclosed
US-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS SUNOVION PHARMACEUTICALS INC. (US) 2011-04-21 US disclosed
US-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS SUNOVION PHARMACEUTICALS INC. (US) 2011-04-21 US disclosed
US-7893098-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2011-02-22 US disclosed
US-7893098-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2011-02-22 US disclosed
US-7893098-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2011-02-22 US disclosed
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-20 US disclosed
CN-1473150-A Bis-heterocyclic compounds with antitumor and chemosensitive activity ϣ��������ҩ��ҵ��˾ 2004-02-04 CN disclosed
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2002-07-25 US disclosed
US-6420522-B1 ENZYME INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2002-07-16 US disclosed
US-6103711-A INTERLEUKIN-1 MEDIATED DISEASES; ANTIINFLAMMATORY AND -CARCINOGENIC AGENTS; AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INCORPORATED (US) 2000-08-15 US disclosed
US-5973111-A NOVEL COMPOUNDS THAT ARE CAPABLE OF BINDING TO THE ACTIVE SITE OF INTERLEUKIN-1B-CONVERTING ENZYME (ICE) AND INHIBITING ACTIVITY OF THAT ENZYME; ADMINISTERING TO TREAT INFLAMMATORY, AUTOIMMUNE, AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1999-10-26 US disclosed
US-5847135-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-12-08 US disclosed
US-5716929-A THERAPY FOR INFLAMMATION, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1998-02-10 US disclosed
US-5656627-A USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1997-08-12 US disclosed
EP-0784628-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1997-07-23 EP disclosed
WO-1995035308-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 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-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS DDO, DAO, SRR SMN1; SMN2 640/4885PDE3B 3043/4885PDE3A 2777/4885
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1RN SMN1; SMN2 1425/4885PDE3B 682/4885PDE3A 799/4885
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 SMN1; SMN2 1407/4885PDE3B 689/4885PDE3A 824/4885
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 SMN1; SMN2 1407/4885PDE3B 689/4885PDE3A 824/4885

“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.