SCHEMBL6655954

SCHEMBL6655954

Oc1ccccc1/C=N/c1ccccc1S

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.75
▸ CA2 P00918 6/20 0.75
▸ CA9 Q16790 5/20 0.75
▸ SIRT2 Q8IXJ6 1/20 0.58
▸ MAPT P10636 4/20 0.51
▸ ALOX15 P16050 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ KDM4E B2RXH2 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ POLB P06746 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HPGD P15428 2/20 0.50

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
SCHEMBL3068132 1.00 CA12 (0.75) CA12CA2CA9SIRT2MAPT
Hydrochloric Acid SCHEMBL30532247 0.96 CA12 (0.70) CA12CA2CA9SIRT2MAPT
SCHEMBL803089 0.86 CA12 (1.00) CA12CA2CA9SIRT2MAPT
SCHEMBL29359256 0.86 CA12 (1.00) CA12CA2CA9SIRT2MAPT
SCHEMBL710477 0.86 CA12 (1.00) CA12CA2CA9SIRT2MAPT
SCHEMBL710476 0.86 CA12 (1.00) CA12CA2CA9SIRT2MAPT
SCHEMBL30361105 0.86 CA12 (1.00) CA12CA2CA9SIRT2MAPT
SCHEMBL25379604 0.84 CA12 (0.96) CA12CA2CA9SIRT2MAPT
SCHEMBL31540902 0.84 CA12 (0.96) CA12CA2CA9SIRT2MAPT
SCHEMBL348136 0.84 CA12 (0.88) CA12CA2CA9SIRT2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017167638-A1 NON-AQUEOUS ELECTROLYTES AND USES THEREOF SONY CORPORATION (JP) 2017-10-05 — — WO disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 — — US disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 — — US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 — — US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 — — US disclosed
CN-101709097-A Olefin polymerization catalyst for coordinating [O-N-S] type tridentate ligand with titanium metal and preparation method thereof UNIV FUDAN 2010-05-19 — — CN disclosed
US-20100044088-A1 CONDUCTIVE ADHESIVE ABLESTIK (JAPAN) CO. LTD. (JP) 2010-02-25 — — US disclosed
US-20100044088-A1 CONDUCTIVE ADHESIVE ABLESTIK (JAPAN) CO. LTD. (JP) 2010-02-25 — — US disclosed
EP-2042580-A1 CONDUCTIVE ADHESIVE Ablestik (Japan) Co., Ltd. (JP) 2009-04-01 — — EP disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 — — US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 — — US disclosed
EP-1423467-A1 FLUXING COMPOSITIONS 3M Innovative Properties Company (US) 2004-06-02 — — EP disclosed
US-20030111519-A1 Fluxing compositions 3M INNOVATIVE PROPERTIES COMPANY 2003-06-19 — — US disclosed
WO-2003020816-A1 FLUXING COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-03-13 — — WO disclosed
US-5426085-A Used in pressure sensitive carbonless copoly-papers; image formed by reaction of color forming compound and transition metal compound MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-06-20 — — US disclosed
US-5376451-A Aromatic substituted compounds capable of forming coordination compounds with transition metal salts; used in pressure sensitive carbonless copy-papers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-12-27 — — US disclosed
WO-1992000199-A1 YELLOW COLOR-FORMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-01-09 — — 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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CA12 1940/4885CA2 2958/4885CA9 2391/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 CA12 1940/4885CA2 2958/4885CA9 2391/4885

“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.

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