SCHEMBL5012205

SCHEMBL5012205

CCCN([C]=O)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.42
HTR1B P28222 2/20 0.41
HTR1D P28221 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
CYP2A6 P11509 1/20 0.38
EPHX1 P07099 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP9 P14780 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
DRD3 P35462 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
SCHEMBL5010705 0.92 HTR1B (0.46) SIGMAR1HTR1BHTR1DALDH1A1KMT2A
SCHEMBL5010596 0.90 HTR1B (0.41) SIGMAR1HTR1BHTR1DALDH1A1KMT2A
SCHEMBL5009727 0.89 HTR1B (0.40) SIGMAR1HTR1BHTR1DALDH1A1KMT2A
SCHEMBL2338566 0.86 SIGMAR1 (0.47) SIGMAR1ALDH1A1KMT2ACYP2A6L3MBTL1
SCHEMBL516226 0.77 SIGMAR1 (0.48) SIGMAR1HTR1BHTR1DALDH1A1KMT2A
SCHEMBL1573639 0.75 ALDH1A1 (0.41) SIGMAR1ALDH1A1KMT2ACYP2A6MMP9
SCHEMBL9313557 0.75 SIGMAR1 (0.52) SIGMAR1HTR1BHTR1DALDH1A1KMT2A
SCHEMBL5012208 0.75 SIGMAR1 (0.43) SIGMAR1HTR1BHTR1DALDH1A1KMT2A
SCHEMBL7411647 0.74 SIGMAR1 (0.49) SIGMAR1ALDH1A1KMT2ACYP2A6L3MBTL1
SCHEMBL7772408 0.74 SIGMAR1 (0.53) SIGMAR1HTR1BHTR1DALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-7071211-B2 Small organic molecules that increase the activity of gelatinase a in ocular cells BAUSCH & LOMB INC. (US) 2006-07-04 US disclosed
US-20060121090-A1 Ocular compositions that increases the activity of gelatinase a in ocular cells BAUSCH & LOMB INCORPORATED 2006-06-08 US disclosed
EP-1542687-A1 SMALL ORGANIC MOLECULES THAT INCREASE THE ACTIVITY OF GELATINASE A IN OCULAR CELLS BAUSCH & LOMB INCORPORATED (US) 2005-06-22 EP disclosed
WO-2004028538-A1 SMALL ORGANIC MOLECULES THAT INCREASE THE ACTIVITY OF GELATINASE A IN OCULAR CELLS BAUSCH & LOMB INCORPORATED (US) 2004-04-08 WO disclosed
US-20040068017-A1 Small organic molecules that increase the activity of Gelatinase A in ocular cells BAUSCH & LOMB INCORPORATED 2004-04-08 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-20060121090-A1 Ocular compositions that increases the activity of gelatinase a in ocular cells MMP3, MMP13, MMP1 SIGMAR1 4124/4885HTR1B 4277/4885HTR1D 4520/4885
US-20040068017-A1 Small organic molecules that increase the activity of Gelatinase A in ocular cells MMP1, MMP3, MMP10 SIGMAR1 2529/4885HTR1B 3749/4885HTR1D 4105/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL SIGMAR1 1156/4885HTR1B 4003/4885HTR1D 4198/4885

“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.