SCHEMBL4887344

SCHEMBL4887344

O=[N+]([O-])c1ccc(C=NO)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.57
SMN1; SMN2 Q16637 14/20 0.57
LMNA P02545 12/20 0.57
HTT P42858 11/20 0.57
KDM4E B2RXH2 7/20 0.57
GAA P10253 1/20 0.57
ALDH1A1 P00352 14/20 0.56
KMT2A Q03164 14/20 0.56
MEN1 O00255 13/20 0.56
POLB P06746 9/20 0.56
HSP90AA1 P07900 7/20 0.56
L3MBTL1 Q9Y468 7/20 0.56
RECQL P46063 4/20 0.56
RAB9A P51151 2/20 0.56
MITF O75030 7/20 0.55
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP2C9 P11712 2/20 0.52
HPGD P15428 3/20 0.52

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
SCHEMBL11763015 1.00 MAPT (0.57) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL4887343 1.00 MAPT (0.57) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL3978871 0.81 MAPT (0.56) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL99040 0.76 MAPT (0.50) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL12443484 0.75 MAPT (0.67) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL28006431 0.75 MAPT (0.65) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL8991871 0.75 MAPT (0.49) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL11482894 0.74 MAPT (0.48) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL29957866 0.74 MAPT (0.44) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL1596704 0.74 MAPT (0.71) MAPTSMN1; SMN2LMNAHTTKDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071650-B2 Vanilloid receptor modulators; analgesic, antiinflammatory and antiulcer effects; such as 1-(1H-indol-5-ylmethyl)-3-phenethylthiourea PACIFIC CORPORATION (KR) 2011-12-06 US disclosed
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 US disclosed
CN-1186346-C Thienopyrrolidinones HOFFMANN LA ROCHE (CH) 2005-01-26 CN disclosed
EP-1301517-B1 THIENOPYRROLIDINONES HOFFMANN LA ROCHE (CH) 2004-12-15 EP disclosed
EP-1303483-A4 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2004-11-03 EP disclosed
CN-1440412-A Thienopyrrolidinones HOFFMANN LA ROCHE (CH) 2003-09-03 CN disclosed
US-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-08-14 US disclosed
EP-1303483-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-04-23 EP disclosed
EP-1301517-A1 THIENOPYRROLIDINONES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP disclosed
US-6528653-B2 E.g., 4,6-dihydro 4-(heterocyclic ring-methylene)thieno(2,3-b) pyrrolidin-5-one derivatives; tumor necrosis factor ) inhibitors; anticarcinogenic, -proliferative and -arthritic agents; Alzheimer's disease; cardiovascular disorders HOFFMANN-LA ROCHE, INC. 2003-03-04 US disclosed
US-20020028841-A1 Thienopyrrolidinones F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 US disclosed
WO-2002016318-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO disclosed
WO-2002002567-A1 THIENOPYRROLIDINONES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 WO disclosed
US-4061764-A Certain O-substituted thiophene oxime carbamates used as antibacterial and antifungal agents ABBOTT LABORATORIES (US) 1977-12-06 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 (3 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-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TAS2R40, TAS1R2, TAS2R45 MAPT 1674/4885SMN1; SMN2 2222/4885LMNA 4375/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 MAPT 3462/4885SMN1; SMN2 1383/4885LMNA 4716/4885
US-20020028841-A1 Thienopyrrolidinones TNF, TYMP, TNFRSF1A MAPT 1940/4885SMN1; SMN2 342/4885LMNA 3158/4885

“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.