SCHEMBL482984

SCHEMBL482984

CCCCCCc1cccnn1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.60
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FAAH O00519 1/20 0.43
CYP19A1 P11511 6/20 0.43
CTDSP1 Q9GZU7 1/20 0.41
LIPG Q9Y5X9 1/20 0.38
HRH1 P35367 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL18596775 1.00 KCNH2 (0.60) KCNH2TDP1L3MBTL1FAAHCYP19A1
SCHEMBL27678206 1.00 KCNH2 (0.60) KCNH2TDP1L3MBTL1FAAHCYP19A1
SCHEMBL22308558 1.00 KCNH2 (0.60) KCNH2TDP1L3MBTL1FAAHCYP19A1
SCHEMBL15573512 1.00 KCNH2 (0.60) KCNH2TDP1L3MBTL1FAAHCYP19A1
SCHEMBL22307320 1.00 KCNH2 (0.60) KCNH2TDP1L3MBTL1FAAHCYP19A1
SCHEMBL655646 0.98 KCNH2 (0.57) KCNH2TDP1L3MBTL1FAAHCYP19A1
SCHEMBL4171814 0.92 KCNH2 (0.48) KCNH2TDP1L3MBTL1FAAHCYP19A1
SCHEMBL18222818 0.90 FAAH (0.57) KCNH2FAAH
SCHEMBL18222821 0.90 FAAH (0.57) KCNH2FAAH
Piperazine SCHEMBL4836648 0.88 KCNH2 (0.47) KCNH2TDP1L3MBTL1FAAHCYP19A1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3443050-A1 COMPOSITION FOR NANOENCAPSULATION AND NANOCAPSULES COMPRISING A LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2019-02-20 EP disclosed
WO-2018189068-A1 COMPOSITION FOR NANOENCAPSULATION AND NANOCAPSULES COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-10-18 WO disclosed
WO-2018078078-A1 NANOCAPSULES COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-05-03 WO disclosed
WO-2017178419-A1 COMPOSITION FOR NANOENCAPSULATION AND NANOCAPSULES COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-10-19 WO disclosed
WO-2017059942-A1 CHIRAL COMPOUNDS MERCK PATENT GMBH (DE) 2017-04-13 WO disclosed
US-9409871-B2 Pyridazinyl derivatives as SMO inhibitors NOVARTIS AG (CH) 2016-08-09 US disclosed
CN-102143958-B Pyridazine derivatives as SMO inhibitors NOVARTIS AG 2013-12-18 CN disclosed
US-20130261299-A1 PYRIDAZINYL DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2013-10-03 US disclosed
US-8481542-B2 Pyridazinyl derivatives as smo inhibitors NOVARTIS AG (CH) 2013-07-09 US disclosed
EP-2318389-B1 PYRIDAZINE DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2013-06-19 EP disclosed
WO-2002086609-A1 LIQUID CRYSTAL DEVICE EXHIBITING OPTICAL PROPERTIES WHICH ARE CHANGEABLE AFTER ASSEMBLY MERCK PATENT GMBH (DE) 2002-10-31 WO disclosed
WO-2002040614-A1 CHIRAL PHOTOISOMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2002-05-23 WO disclosed
WO-2002034739-A1 CHIRAL BINAPHTHOL DERIVATIVES MERCK PATENT GMBH (DE) 2002-05-02 WO disclosed
WO-2002006196-A1 CHIRAL COMPOUNDS I MERCK PATENT GMBH (DE) 2002-01-24 WO disclosed
WO-2002006265-A1 CHIRAL COMPOUNDS III MERCK PATENT GMBH (DE) 2002-01-24 WO disclosed
WO-2002006195-A1 CHIRAL COMPOUNDS II MERCK PATENT GMBH (DE) 2002-01-24 WO disclosed
EP-0482024-A1 CHIRAL OR ACHIRAL RING COMPOUNDS. MERCK PATENT GMBH (DE) 1992-04-29 EP disclosed
EP-0428665-A1 FLUOROPHENYL PYRIMIDINES. MERCK PATENT GMBH (DE) 1991-05-29 EP disclosed
EP-0257049-A1 CHIRAL COMPOUNDS. MERCK PATENT GMBH (DE) 1988-03-02 EP disclosed
WO-1987005015-A1 CHIRAL COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-08-27 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 (1 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-20130261299-A1 PYRIDAZINYL DERIVATIVES AS SMO INHIBITORS SMO, SHH, GLI1 KCNH2 1554/4885TDP1 4399/4885L3MBTL1 913/4885

“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.