SCHEMBL659775

SCHEMBL659775

CCCC(c1cccnc1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
GOPC Q9HD26 1/20 0.53
TBXAS1 P24557 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KCNA5 P22460 6/20 0.47
KCNH2 Q12809 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.47
KCNN4 O15554 2/20 0.47
PDE4D Q08499 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL23970158 0.96 TBXAS1 (0.56) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL9910965 0.85 TBXAS1 (0.61) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL16919628 0.84 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL14288463 0.84 TBXAS1 (0.64) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL658876 0.83 CFTR (0.57) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL21770565 0.82 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL11337414 0.82 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL23689571 0.82 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL24919838 0.82 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL7108264 0.81 CFTR (0.44) CFTRSLC6A2SLC6A4SLC6A3GOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215762-A1 Siloxane polymer containing tethered levofloxacin NDSU RESEARCH FOUNDATION 2009-08-27 US claimed
US-8283432-B2 Siloxane polymer containing tethered fluoroquinolone NDSU RESEARCH FOUNDATION (US) 2012-10-09 US disclosed
US-8278400-B2 Antifouling materials containing cationic polysiloxanes NDSU RESEARCH FOUNDATION (US) 2012-10-02 US disclosed
US-20120046313-A1 SILOXANE POLYMER CONTAINING TETHERED FLUOROQUINOLONE NDSU RESEARCH FOUNDATION 2012-02-23 US disclosed
US-20100204399-A1 ANTIFOULING MATERIALS CONTAINING CATIONIC POLYSILOXANES NDSU RESEARCH FOUNDATION 2010-08-12 US disclosed
US-7771833-B2 Anti-fouling materials containing cationic polysiloxanes NDSU RESEARCH FOUNDATION (US) 2010-08-10 US disclosed
US-20090215762-A1 Siloxane polymer containing tethered levofloxacin NDSU RESEARCH FOUNDATION 2009-08-27 US disclosed
EP-1879972-A4 ANTI-FOULING MATERIALS CONTAINING POLYAMINE CROSS-LINKED POLYSILOXANES NDSU RES FOUNDATION (US) 2008-10-15 EP disclosed
EP-1879972-A1 ANTI-FOULING MATERIALS CONTAINING POLYAMINE CROSS-LINKED POLYSILOXANES NDSU Research Foundation (US) 2008-01-23 EP disclosed
US-20070042199-A1 Anti-fouling materials containing cationic polysiloxanes NDSU RESEARCH FOUNDATION 2007-02-22 US disclosed
WO-2006121937-A1 ANTI-FOULING MATERIALS CONTAINING POLYAMINE CROSS-LINKED POLYSILOXANES NDSU RESEARCH FOUNDATION (US) 2006-11-16 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 (2 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-20120046313-A1 SILOXANE POLYMER CONTAINING TETHERED FLUOROQUINOLONE QARS1, SEPTIN7, SMCHD1 CFTR 47/4885SLC6A2 1270/4885SLC6A4 503/4885
US-20090215762-A1 Siloxane polymer containing tethered levofloxacin PUF60, QARS1, SEPTIN7 CFTR 220/4885SLC6A2 802/4885SLC6A4 535/4885

“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.