SCHEMBL658876

SCHEMBL658876

CCC(c1cccnc1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
SLC6A3 Q01959 1/20 0.57
GOPC Q9HD26 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
KCNA5 P22460 7/20 0.50
KCNH2 Q12809 2/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TBXAS1 P24557 1/20 0.46
KCNN4 O15554 3/20 0.46
CYP19A1 P11511 1/20 0.46
PDE4D Q08499 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
SCHEMBL1944201 0.96 CFTR (0.59) CFTRSLC6A2SLC6A4SLC6A3GOPC
Ammonia Solution, Strong SCHEMBL5999698 0.94 CFTR (0.57) CFTRSLC6A2SLC6A4SLC6A3GOPC
Ammonia Solution, Strong SCHEMBL6000373 0.88 CFTR (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL11737642 0.88 CYP19A1 (0.62) CFTRSLC6A2SLC6A4SLC6A3GOPC
Ammonia Solution, Strong SCHEMBL5999435 0.86 POLB (0.50) CFTRSLC6A2SLC6A4SLC6A3GOPC
Ammonia Solution, Strong SCHEMBL5999471 0.86 SLC6A4 (0.44) CFTRSLC6A2SLC6A4SLC6A3GOPC
Ammonia Solution, Strong SCHEMBL6000489 0.86 CYP19A1 (0.60) CFTRSLC6A2SLC6A4SLC6A3GOPC
Ammonia Solution, Strong SCHEMBL5999960 0.85 CFTR (0.43) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL11742169 0.85 CYP2A6 (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
Ammonia Solution, Strong SCHEMBL5999989 0.85 CYP19A1 (0.46) 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104017006-A Heterocyclic coordination polymer and preparation method thereof LIU GUOZHENG 2014-09-03 CN claimed
US-20090215762-A1 Siloxane polymer containing tethered levofloxacin NDSU RESEARCH FOUNDATION 2009-08-27 US claimed
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute 2023-09-21 US disclosed
EP-4230621-A1 SUBSTITUTED N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer AG (DE) 2023-08-23 EP disclosed
EP-3402862-A1 USE OF RARE EARTH COMPLEXES AS MARKERS OF PETROLEUM PRODUCTS, CRUDE OILS, BIOFUELS OR LUBRICANTS Inoventeam (FR) 2018-11-21 EP disclosed
CN-104017006-A Heterocyclic coordination polymer and preparation method thereof LIU GUOZHENG 2014-09-03 CN disclosed
US-8709394-B2 Antimicrobial polysiloxane materials containing metal species NDSU RESEARCH FOUNDATION (US) 2014-04-29 US disclosed
EP-2668317-A1 PROCESS FOR FILLING VIAS IN THE MICROELECTRONICS Enthone, Inc. (US) 2013-12-04 EP disclosed
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
WO-2012103357-A1 PROCESS FOR FILLING VIAS IN THE MICROELECTRONICS ENTHONE INC. (US) 2012-08-02 WO disclosed
WO-2009045302-A9 ANTIMICROBIAL POLYSILOXANE MATERIALS CONTAINING METAL SPECIES NDSU RES FOUNDATION (US) 2009-07-30 WO disclosed
WO-2009045302-A2 ANTIMICROBIAL POLYSILOXANE MATERIALS CONTAINING METAL SPECIES NDSU RESEARCH FOUNDATION (US) 2009-04-09 WO disclosed
EP-1879972-A4 ANTI-FOULING MATERIALS CONTAINING POLYAMINE CROSS-LINKED POLYSILOXANES NDSU RES FOUNDATION (US) 2008-10-15 EP disclosed
CN-101165054-A Method for synthesizing 1-hydroxy-1,2,4,5-tetrapyridylcyclohexane FUJIAN MATTER STRUCTURE (CN) 2008-04-23 CN 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
CN-1070844-C Process for preparing lower amide containing shielding phenol CHINA PETROCHEMICAL CORP (CN) 2001-09-12 CN disclosed
CN-1240787-A Process for preparing lower amide containing shielding phenol CHINA PETROCHEMICAL CORP (CN) 2000-01-12 CN 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-20090215762-A1 Siloxane polymer containing tethered levofloxacin PUF60, QARS1, SEPTIN7 CFTR 220/4885SLC6A2 802/4885SLC6A4 535/4885
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS API5, XIAP, BIRC5 CFTR 3862/4885SLC6A2 4825/4885SLC6A4 4832/4885

“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.