SCHEMBL4155489

SCHEMBL4155489

Nc1cc(-c2ccc3ccccc3c2)nc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.72
CYP1A1 P04798 1/20 0.58
CYP1B1 Q16678 1/20 0.58
CYP1A2 P05177 3/20 0.57
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
NCF1 P14598 1/20 0.50
AR P10275 1/20 0.50
GFER P55789 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 4/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL28516025 0.84 ACHE (0.93) ACHEALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL2873300 0.84 ACHE (1.00) ACHEALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL29726808 0.81 ACACA (0.65) ACHECYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL28905536 0.81 ACHE (0.73) ACHEALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL6534364 0.80 CYP1A1 (0.50) ACHECYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL3879052 0.80 ALDH1A1 (0.57) ACHECYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL15919363 0.80 ACHE (0.77) ACHECYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL4143397 0.80 ACHE (0.77) ACHECYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL6755822 0.80 MEN1 (0.51) ACHECYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL31134275 0.80 CYP1A1 (0.50) ACHECYP1A1CYP1B1CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102937-B2 Stable and selective formation of hoogsteen-type triplexes and duplexes using twisted intercalating nucleic acids (TINA) and process for the preparation of TINA TINA HOLDING APS (DK) 2015-08-11 US disclosed
CN-101238213-B Stable and selective formation of hoogsteen-type triplexes and duplexes using twisted intercalating nucleic acids (TINA) and process for the preparation of tina TINA HOLDING APS 2015-05-20 CN disclosed
EP-1888748-B1 STABLE AND SELECTIVE FORMATION OF HOOGSTEEN-TYPE TRIPLEXES AND DUPLEXES USING TWISTED INTERCALATING NUCLEIC ACIDS (TINA) AND PROCESS FOR THE PREPARATION OF TINA TINA HOLDING APS (DK) 2013-08-28 EP disclosed
US-20090216003-A1 STABLE AND SELECTIVE FORMATION OF HOOGSTEEN-TYPE TRIPLEXES AND DUPLEXES USING TWISTED INTERCALATING NUCLEIC ACIDS (TINA) AND PROCESS FOR THE PREPARATION OF TINA TINA HOLDING APS (DK) 2009-08-27 US disclosed
US-20090069338-A1 Method for predicting skin sensitizing activity of compounds DICKSON JR JOHN K 2009-03-12 US disclosed
US-7452887-B2 Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof AMPHORA DISCOVERY CORPORATION (US) 2008-11-18 US disclosed
CN-101238213-A Stable and selective formation of hoogsteen-type triplexes and duplexes using twisted intercalating nucleic acids (TINA) and process for the preparation of tina TINA HOLDING APS (DK) 2008-08-06 CN disclosed
EP-1888748-A2 STABLE AND SELECTIVE FORMATION OF HOOGSTEEN-TYPE TRIPLEXES AND DUPLEXES USING TWISTED INTERCALATING NUCLEIC ACIDS (TINA) AND PROCESS FOR THE PREPARATION OF TINA Tina Holding ApS (DK) 2008-02-20 EP disclosed
WO-2006125447-A2 STABLE AND SELECTIVE FORMATION OF HOOGSTEEN-TYPE TRIPLEXES AND DUPLEXES USING TWISTED INTERCALATING NUCLEIC ACIDS (TINA) AND PROCESS FOR THE PREPARATION OF TINA TINA HOLDING APS (DK) 2006-11-30 WO disclosed
US-20060009460-A1 Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof AGRIUS GROUP, LLC. 2006-01-12 US disclosed
EP-1377554-A1 ANTAGONISM OF IMMUNOSTIMULATORY CPG-OLIGONUCLEOTIDES BY 4-AMINOQUINOLINES AND OTHER WEAK BASES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2004-01-07 EP disclosed
US-6479504-B1 USED IN PREVENTATIVE AND THERAPEUTIC TREATMENTS OF AUTOIMMUNE DISEASES AND PHENOMENA, TRANSPLANT REJECTION SUCH AS HOST-VERSUS-GRAFT DISEASE, AND SEPSIS THE UNIVERSITY OF IOWA RESEARCH FOUNDATION 2002-11-12 US disclosed
WO-2000076982-A1 ANTAGONISM OF IMMUNOSTIMULATORY CPG-OLIGONUCLEOTIDES BY 4-AMINOQUINOLINES AND OTHER WEAK BASES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2000-12-21 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 (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-20090069338-A1 Method for predicting skin sensitizing activity of compounds ATP5ME, ABCG2, ATP5MG ACHE 31/4885CYP1A1 72/4885CYP1B1 171/4885
US-20060009460-A1 Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK ACHE 12/4885CYP1A1 252/4885CYP1B1 320/4885
US-20090216003-A1 STABLE AND SELECTIVE FORMATION OF HOOGSTEEN-TYPE TRIPLEXES AND DUPLEXES USING TWISTED INTERCALATING NUCLEIC ACIDS (TINA) AND PROCESS FOR THE PREPARATION OF TINA PCNA, DNA2, NUDT1 ACHE 4762/4885CYP1A1 4312/4885CYP1B1 4351/4885

“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.