SCHEMBL2708485

SCHEMBL2708485

N#Cc1ccc(-c2csc(N3CCNCC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.54
HRH4 Q9H3N8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
GAA P10253 2/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
RECQL P46063 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 5/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 1/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48

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
SCHEMBL17014750 0.85 AR (0.69) ARGAAMEN1MAPTKMT2A
SCHEMBL14046467 0.85 CHEK1 (0.57) ARHRH4HRH3GAAMEN1
SCHEMBL3768189 0.84 CTSL (0.52) ARMAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL2556201 0.83 RAB9A (0.74) ARMEN1MAPTKMT2ARAB9A
SCHEMBL194798 0.83 L3MBTL1 (0.72) ARGAAMEN1MAPTKMT2A
SCHEMBL17536090 0.83 RAB9A (0.60) ARMEN1MAPTKMT2ARAB9A
SCHEMBL29157423 0.83 SMN1; SMN2 (0.70) ARMEN1MAPTKMT2ARAB9A
SCHEMBL8050674 0.82 AR (0.68) ARMEN1MAPTKMT2ARAB9A
SCHEMBL2710025 0.82 AR (0.72) ARMEN1MAPTKMT2ARECQL
Hydrochloric Acid SCHEMBL3777109 0.82 L3MBTL1 (0.70) ARGAAMEN1MAPTKMT2A

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
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
US-7504423-B2 α-amino acid derivatives and use thereof as medicines MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US 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-20070049619-A1 Alpha-amino acid derivatives and use thereof as medicines MITSUBISHI PHAMA CORPORATION (JP) 2007-03-01 US disclosed
CN-1890228-A Alpha-amino acid derivatives and their use as medicaments MITSUBISHI PHAMA CORP (JP) 2007-01-03 CN disclosed
EP-1695969-A1 ALPHA-AMINO ACID DERIVATIVES AND USE THEREOF AS MEDICINES Mitsubishi Pharma Corporation (JP) 2006-08-30 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 (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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 AR 3174/4885HRH4 1794/4885HRH3 3166/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 AR 3174/4885HRH4 1794/4885HRH3 3166/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 AR 3170/4885HRH4 1616/4885HRH3 2997/4885
US-20070049619-A1 Alpha-amino acid derivatives and use thereof as medicines DPP4, DPP7, DPP3 AR 3267/4885HRH4 1166/4885HRH3 1914/4885

“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.