SCHEMBL2709101

SCHEMBL2709101

CC(C)Oc1ccc2nc(N3CCNCC3)sc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.67
SCN9A Q15858 2/20 0.67
MAPT P10636 8/20 0.53
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 3/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
NFKB1 P19838 1/20 0.53
CYP2C19 P33261 1/20 0.53
NFKB2 Q00653 1/20 0.53
KMT2A Q03164 1/20 0.53
RELA Q04206 1/20 0.53
LMNA P02545 2/20 0.49
S1PR1 P21453 1/20 0.47
ILK Q13418 1/20 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
SCHEMBL2708042 0.86 SCN4A (0.71) SCN4ASCN9AMAPTNPC1RAB9A
SCHEMBL4061174 0.82 MAPT (0.77) SCN4ASCN9AMAPTNPC1RAB9A
SCHEMBL8516006 0.80 SCN4A (1.00) SCN4ASCN9AMAPTNPC1RAB9A
SCHEMBL3232592 0.79 SCN4A (0.61) SCN4ASCN9AMAPTNPC1RAB9A
SCHEMBL26962507 0.78 SMN1; SMN2 (0.75) SCN4ASCN9AMAPTNPC1RAB9A
SCHEMBL29858326 0.78 SMN1; SMN2 (0.75) SCN4ASCN9AMAPTNPC1RAB9A
SCHEMBL2710695 0.76 NPC1 (0.76) SCN4ASCN9AMAPTNPC1RAB9A
SCHEMBL13279558 0.76 AR (0.70) SCN4ASCN9AMAPTNPC1RAB9A
SCHEMBL1981263 0.76 RAB9A (0.76) SCN4ASCN9AMAPTNPC1RAB9A
SCHEMBL31349392 0.76 NPC1 (0.70) SCN4ASCN9AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP 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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 SCN4A 684/4885SCN9A 2186/4885MAPT 3343/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 SCN4A 684/4885SCN9A 2186/4885MAPT 3343/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 SCN4A 993/4885SCN9A 2853/4885MAPT 3585/4885

“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.